4-[(2S)-butan-2-yl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzenesulfonamide

Systemtic Name: 4-[(2S)-butan-2-yl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzenesulfonamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: 4-[(2S)-butan-2-yl]-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]benzenesulfonamide IUPAC Name: 4-[(2S)-butan-2-yl]-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]benzenesulfonamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C21H30N3O4S2+ MolecularWeight: 452.6106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H29N3O4S2/c1-4-17(2)18-5-9-20(10-6-18)29(25,26)22-19-7-11-21(12-8-19)30(27,28)24-15-13-23(3)14-16-24/h5-12,17,22H,4,13-16H2,1-3H3/p+1/t17-/m0/s1