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

Systemtic Name: N-[(2S)-butan-2-yl]-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-[(1S)-1-methylpropyl]-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N-[(2S)-butan-2-yl]-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-[(1S)-1-methylpropyl]-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)benzenesulfonamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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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=[NH+]C=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S/c1-3-16(2)22-28(26,27)19-6-4-17(5-7-19)20(25)24-14-12-23(13-15-24)18-8-10-21-11-9-18/h4-11,16,22H,3,12-15H2,1-2H3/p+1/t16-/m0/s1