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

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[3-(phenylsulfonylmethyl)phenyl]methanone Openeye Name: [3-(benzenesulfonylmethyl)phenyl]-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: [3-(benzenesulfonylmethyl)phenyl]-[4-[(3-methylphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: [3-(benzenesulfonylmethyl)phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [3-(besylmethyl)phenyl]-[4-(3-methylbenzyl)piperazino]methanone Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3S/c1-21-7-5-8-22(17-21)19-27-13-15-28(16-14-27)26(29)24-10-6-9-23(18-24)20-32(30,31)25-11-3-2-4-12-25/h2-12,17-18H,13-16,19-20H2,1H3