1-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine

Systemtic Name: 1-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine Openeye Name: 1-(2-isopropoxyphenyl)-4-[[3-(1-piperidylsulfonyl)phenyl]methyl]piperazine CAS Name: 1-[[3-(1-piperidinylsulfonyl)phenyl]methyl]-4-(2-propan-2-yloxyphenyl)piperazine IUPAC Name: 1-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine Traditional Name: 1-(2-isopropoxyphenyl)-4-(3-piperidinosulfonylbenzyl)piperazine Formula: C25H35N3O3S MolecularWeight: 457.6287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H35N3O3S/c1-21(2)31-25-12-5-4-11-24(25)27-17-15-26(16-18-27)20-22-9-8-10-23(19-22)32(29,30)28-13-6-3-7-14-28/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3