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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-cyclopropyl-N-[[4-[(cyclopropylamino)-oxomethyl]phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-cyclopropyl-N-[4-(cyclopropylcarbamoyl)benzyl]benzamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC3=CC=C(C=C3)C(=O)NC4CC4)C5CC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC3=CC=C(C=C3)C(=O)NC4CC4)C5CC5

InChI

InChI=1S/C27H33N3O4S/c31-26(28-23-12-13-23)21-10-8-20(9-11-21)19-30(24-14-15-24)27(32)22-6-5-7-25(18-22)35(33,34)29-16-3-1-2-4-17-29/h5-11,18,23-24H,1-4,12-17,19H2,(H,28,31)