[3-[(4-methylphenyl)sulfonylmethyl]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[3-(p-tolylsulfonylmethyl)phenyl]methanone CAS Name: [3-[(4-methylphenyl)sulfonylmethyl]phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[3-[(4-methylphenyl)sulfonylmethyl]phenyl]methanone Traditional Name: (4-benzylpiperazino)-[3-(tosylmethyl)phenyl]methanone Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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