[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

Systemtic Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Openeye Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: [5-(1-azepanylsulfonyl)-2-methoxyphenyl]-[4-(2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[4-(o-tolyl)piperazino]methanone Formula: C25H33N3O4S MolecularWeight: 471.61222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC

InChI

InChI=1S/C25H33N3O4S/c1-20-9-5-6-10-23(20)26-15-17-27(18-16-26)25(29)22-19-21(11-12-24(22)32-2)33(30,31)28-13-7-3-4-8-14-28/h5-6,9-12,19H,3-4,7-8,13-18H2,1-2H3