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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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