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

Systemtic Name: N-[(2S)-butan-2-yl]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: N-[(2S)-butan-2-yl]-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-[(2S)-butan-2-yl]benzenesulfonamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-N-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-3-18(2)23-29(27,28)21-11-9-20(10-12-21)22(26)25-15-13-24(14-16-25)17-19-7-5-4-6-8-19/h4-12,18,23H,3,13-17H2,1-2H3/p+1/t18-/m0/s1