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

Systemtic Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(1,3-benzodioxol-5-ylmethyl)amino]-N-phenyl-ethanamide Openeye Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(1,3-benzodioxol-5-ylmethyl)amino]-N-phenyl-acetamide CAS Name: 2-[[4-(1-azepanylsulfonyl)phenyl]sulfonyl-(1,3-benzodioxol-5-ylmethyl)amino]-N-phenylacetamide IUPAC Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-(1,3-benzodioxol-5-ylmethyl)amino]-N-phenylacetamide Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]sulfonyl-piperonyl-amino]-N-phenyl-acetamide Formula: C28H31N3O7S2 MolecularWeight: 585.69164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(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

C1CCCN(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/C28H31N3O7S2/c32-28(29-23-8-4-3-5-9-23)20-31(19-22-10-15-26-27(18-22)38-21-37-26)40(35,36)25-13-11-24(12-14-25)39(33,34)30-16-6-1-2-7-17-30/h3-5,8-15,18H,1-2,6-7,16-17,19-21H2,(H,29,32)