2-[1,3-benzodioxol-5-ylmethyl-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-amino]-N-phenyl-ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-amino]-N-phenyl-ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[4-(1-piperidylsulfonyl)phenyl]sulfonyl-amino]-N-phenyl-acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[4-(1-piperidinylsulfonyl)phenyl]sulfonylamino]-N-phenylacetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-(4-piperidin-1-ylsulfonylphenyl)sulfonylamino]-N-phenylacetamide Traditional Name: N-phenyl-2-[(4-piperidinosulfonylphenyl)sulfonyl-piperonyl-amino]acetamide Formula: C27H29N3O7S2 MolecularWeight: 571.66506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)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

C1CCN(CC1)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/C27H29N3O7S2/c31-27(28-22-7-3-1-4-8-22)19-30(18-21-9-14-25-26(17-21)37-20-36-25)39(34,35)24-12-10-23(11-13-24)38(32,33)29-15-5-2-6-16-29/h1,3-4,7-14,17H,2,5-6,15-16,18-20H2,(H,28,31)