3-(azepan-1-ylsulfonyl)-N-[2-(4-phenylpiperazin-1-yl)carbonylphenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-phenylpiperazin-1-yl)carbonylphenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C30H34N4O4S/c35-29(24-11-10-14-26(23-24)39(37,38)34-17-8-1-2-9-18-34)31-28-16-7-6-15-27(28)30(36)33-21-19-32(20-22-33)25-12-4-3-5-13-25/h3-7,10-16,23H,1-2,8-9,17-22H2,(H,31,35)