2-[1,3-benzodioxol-5-ylmethyl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-amino]-N-phenyl-ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonyl-amino]-N-phenyl-ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]sulfonyl-amino]-N-phenyl-acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]sulfonylamino]-N-phenylacetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylamino]-N-phenylacetamide Traditional Name: 2-[[4-(3-methylpiperidino)sulfonylphenyl]sulfonyl-piperonyl-amino]-N-phenyl-acetamide Formula: C28H31N3O7S2 MolecularWeight: 585.69164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC4=C(C=C3)OCO4)CC(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC4=C(C=C3)OCO4)CC(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O7S2/c1-21-6-5-15-30(17-21)39(33,34)24-10-12-25(13-11-24)40(35,36)31(19-28(32)29-23-7-3-2-4-8-23)18-22-9-14-26-27(16-22)38-20-37-26/h2-4,7-14,16,21H,5-6,15,17-20H2,1H3,(H,29,32)