3-(1,3-benzodioxol-5-yl)-3-[[4-[4-[3-[1-(4-bromanyl-5-chloranyl-thiophen-2-yl)sulfonylpiperidin-4-yl]propyl]piperidin-1-yl]-3-chloranyl-phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[4-[4-[3-[1-(4-bromanyl-5-chloranyl-thiophen-2-yl)sulfonylpiperidin-4-yl]propyl]piperidin-1-yl]-3-chloranyl-phenyl]sulfonylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[4-[4-[3-[1-[(4-bromo-5-chloro-2-thienyl)sulfonyl]-4-piperidyl]propyl]-1-piperidyl]-3-chloro-phenyl]sulfonylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[4-[4-[3-[1-[(4-bromo-5-chloro-2-thiophenyl)sulfonyl]-4-piperidinyl]propyl]-1-piperidinyl]-3-chlorophenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[4-[4-[3-[1-(4-bromo-5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propyl]piperidin-1-yl]-3-chlorophenyl]sulfonylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[4-[4-[3-[1-[(4-bromo-5-chloro-2-thienyl)sulfonyl]-4-piperidyl]propyl]piperidino]-3-chloro-phenyl]sulfonylamino]propionic acid Formula: C33H38BrCl2N3O8S3 MolecularWeight: 851.67512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCC2CCN(CC2)S(=O)(=O)C3=CC(=C(S3)Cl)Br)C4=C(C=C(C=C4)S(=O)(=O)NC(CC(=O)O)C5=CC6=C(C=C5)OCO6)Cl

Isomeric SMILES

C1CN(CCC1CCCC2CCN(CC2)S(=O)(=O)C3=CC(=C(S3)Cl)Br)C4=C(C=C(C=C4)S(=O)(=O)NC(CC(=O)O)C5=CC6=C(C=C5)OCO6)Cl

InChI

InChI=1S/C33H38BrCl2N3O8S3/c34-25-18-32(48-33(25)36)50(44,45)39-14-10-22(11-15-39)3-1-2-21-8-12-38(13-9-21)28-6-5-24(17-26(28)35)49(42,43)37-27(19-31(40)41)23-4-7-29-30(16-23)47-20-46-29/h4-7,16-18,21-22,27,37H,1-3,8-15,19-20H2,(H,40,41)