3-(azepan-1-ylsulfonyl)-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3-(cyclopropanecarbonylamino)benzyl]benzamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C24H29N3O4S/c28-23(25-17-18-7-5-9-21(15-18)26-24(29)19-11-12-19)20-8-6-10-22(16-20)32(30,31)27-13-3-1-2-4-14-27/h5-10,15-16,19H,1-4,11-14,17H2,(H,25,28)(H,26,29)