4-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl-methyl-amino]methyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl-methyl-amino]methyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl-methyl-amino]methyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[3-[4-(1-azepanylsulfonyl)phenyl]-1-oxopropyl]-methylamino]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl-methylamino]methyl]-N-cyclopropylbenzamide Traditional Name: 4-[[3-[4-(azepan-1-ylsulfonyl)phenyl]propanoyl-methyl-amino]methyl]-N-cyclopropyl-benzamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)NC2CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O4S/c1-29(20-22-6-11-23(12-7-22)27(32)28-24-13-14-24)26(31)17-10-21-8-15-25(16-9-21)35(33,34)30-18-4-2-3-5-19-30/h6-9,11-12,15-16,24H,2-5,10,13-14,17-20H2,1H3,(H,28,32)