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

Systemtic Name: N-[(2S)-butan-2-yl]-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-[(1S)-1-methylpropyl]-4-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]-N-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C23H31N3O3S/c1-4-19(3)24-30(28,29)22-11-9-20(10-12-22)23(27)26-15-13-25(14-16-26)17-21-8-6-5-7-18(21)2/h5-12,19,24H,4,13-17H2,1-3H3/p+1/t19-/m0/s1