4-methyl-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 4-methyl-3-[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-methyl-3-[4-(o-tolylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 4-methyl-3-[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: 4-methyl-3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-methyl-3-[4-(2-methylbenzyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C20H25N3O3S/c1-15-5-3-4-6-17(15)14-22-9-11-23(12-10-22)20(24)19-13-18(27(21,25)26)8-7-16(19)2/h3-8,13H,9-12,14H2,1-2H3,(H2,21,25,26)