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

Systemtic Name: N-[(2S)-butan-2-yl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-[(1S)-1-methylpropyl]-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: N-[(1S)-1-methylpropyl]-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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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=NC=C3

Isomeric SMILES

CC[C@H](C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C21H28N4O3S/c1-3-17(2)23-29(27,28)20-6-4-19(5-7-20)21(26)25-14-12-24(13-15-25)16-18-8-10-22-11-9-18/h4-11,17,23H,3,12-16H2,1-2H3/p+1/t17-/m0/s1