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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[3-(phenylcarbamoylamino)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[3-(phenylcarbamoylamino)phenyl]benzamide CAS Name: N-[3-[[anilino(oxo)methyl]amino]phenyl]-3-(1-azepanylsulfonyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[3-(phenylcarbamoylamino)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[3-(phenylcarbamoylamino)phenyl]benzamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4S/c31-25(20-10-8-15-24(18-20)35(33,34)30-16-6-1-2-7-17-30)27-22-13-9-14-23(19-22)29-26(32)28-21-11-4-3-5-12-21/h3-5,8-15,18-19H,1-2,6-7,16-17H2,(H,27,31)(H2,28,29,32)