N-[(2S)-butan-2-yl]-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-5-18(3)24-30(28,29)21-11-9-20(10-12-21)23(27)26-15-13-25(14-16-26)22-8-6-7-17(2)19(22)4/h6-12,18,24H,5,13-16H2,1-4H3/t18-/m0/s1