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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C2CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

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