N-[2-(azepan-1-yl)phenyl]-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(azepan-1-yl)phenyl]benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[2-(1-azepanyl)phenyl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(azepan-1-yl)phenyl]benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-[2-(azepan-1-yl)phenyl]benzamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3N4CCCCCC4

InChI

InChI=1S/C25H32N4O4S/c1-20(30)27-15-17-29(18-16-27)34(32,33)22-10-8-9-21(19-22)25(31)26-23-11-4-5-12-24(23)28-13-6-2-3-7-14-28/h4-5,8-12,19H,2-3,6-7,13-18H2,1H3,(H,26,31)