4-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: 4-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 4-[3-[4-(m-tolylmethyl)piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: 4-[3-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 4-[3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 4-[3-keto-3-[4-(3-methylbenzyl)piperazino]propyl]benzenesulfonamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O3S/c1-17-3-2-4-19(15-17)16-23-11-13-24(14-12-23)21(25)10-7-18-5-8-20(9-6-18)28(22,26)27/h2-6,8-9,15H,7,10-14,16H2,1H3,(H2,22,26,27)