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

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone Openeye Name: [4-(methylsulfonylmethyl)phenyl]-[4-(m-tolylmethyl)piperazin-1-yl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazinyl]-[4-(methylsulfonylmethyl)phenyl]methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone Traditional Name: [4-(mesylmethyl)phenyl]-[4-(3-methylbenzyl)piperazino]methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-17-4-3-5-19(14-17)15-22-10-12-23(13-11-22)21(24)20-8-6-18(7-9-20)16-27(2,25)26/h3-9,14H,10-13,15-16H2,1-2H3