[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methoxyphenyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]-[4-(2-methoxyphenyl)piperazino]methanone Formula: C25H33N3O5S MolecularWeight: 487.61162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O5S/c1-32-22-10-6-5-9-21(22)26-15-17-27(18-16-26)25(29)20-11-12-23(33-2)24(19-20)34(30,31)28-13-7-3-4-8-14-28/h5-6,9-12,19H,3-4,7-8,13-18H2,1-2H3