N-[(2S)-butan-2-yl]-4-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-[(1S)-1-methylpropyl]-4-[4-(o-tolyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[4-(2-methylphenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-[(1S)-1-methylpropyl]-4-[4-(o-tolyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C22H29N3O3S/c1-4-18(3)23-29(27,28)20-11-9-19(10-12-20)22(26)25-15-13-24(14-16-25)21-8-6-5-7-17(21)2/h5-12,18,23H,4,13-16H2,1-3H3/t18-/m0/s1