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

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(4-methoxyphenyl)piperazino]methanone Formula: C25H33N3O5S MolecularWeight: 487.61162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O5S/c1-32-22-10-8-21(9-11-22)26-15-17-27(18-16-26)25(29)20-7-12-23(33-2)24(19-20)34(30,31)28-13-5-3-4-6-14-28/h7-12,19H,3-6,13-18H2,1-2H3