N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4-(diphenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[4-(diphenylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzhydrylpiperazin-1-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[4-(diphenylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzhydrylpiperazin-1-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzhydrylpiperazino)acetamide Formula: C31H38N4O3S MolecularWeight: 546.72342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H38N4O3S/c36-30(32-28-16-11-17-29(24-28)39(37,38)35-18-9-1-2-10-19-35)25-33-20-22-34(23-21-33)31(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-8,11-17,24,31H,1-2,9-10,18-23,25H2,(H,32,36)