[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[3-(phenylsulfonylmethyl)phenyl]methanone

Systemtic Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[3-(phenylsulfonylmethyl)phenyl]methanone Openeye Name: [3-(benzenesulfonylmethyl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: [3-(benzenesulfonylmethyl)phenyl]-[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [3-(benzenesulfonylmethyl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [3-(besylmethyl)phenyl]-[4-(4-ethoxybenzyl)piperazino]methanone Formula: C27H30N2O4S MolecularWeight: 478.6031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c1-2-33-25-13-11-22(12-14-25)20-28-15-17-29(18-16-28)27(30)24-8-6-7-23(19-24)21-34(31,32)26-9-4-3-5-10-26/h3-14,19H,2,15-18,20-21H2,1H3