N-methyl-4-[(E)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenesulfonamide

Systemtic Name: N-methyl-4-[(E)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenesulfonamide Openeye Name: N-methyl-4-[(E)-3-[4-(m-tolylmethyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzenesulfonamide CAS Name: N-methyl-4-[(E)-3-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-3-oxoprop-1-enyl]benzenesulfonamide IUPAC Name: N-methyl-4-[(E)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzenesulfonamide Traditional Name: 4-[(E)-3-keto-3-[4-(3-methylbenzyl)piperazino]prop-1-enyl]-N-methyl-benzenesulfonamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)NC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)NC

InChI

InChI=1S/C22H27N3O3S/c1-18-4-3-5-20(16-18)17-24-12-14-25(15-13-24)22(26)11-8-19-6-9-21(10-7-19)29(27,28)23-2/h3-11,16,23H,12-15,17H2,1-2H3/b11-8+