[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(diphenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(diphenylmethyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-benzhydrylpiperazin-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-[4-(diphenylmethyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(4-benzhydrylpiperazin-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-(4-benzhydrylpiperazino)methanone Formula: C31H37N3O4S MolecularWeight: 547.70818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C31H37N3O4S/c1-38-28-17-16-27(24-29(28)39(36,37)34-18-10-2-3-11-19-34)31(35)33-22-20-32(21-23-33)30(25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-17,24,30H,2-3,10-11,18-23H2,1H3