4-[(2S)-butan-2-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 4-[(2S)-butan-2-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[(1S)-1-methylpropyl]benzenesulfonamide CAS Name: 4-[(2S)-butan-2-yl]-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 4-[(2S)-butan-2-yl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[(1S)-1-methylpropyl]benzenesulfonamide Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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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)N3CC[NH+](CC3)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2S/c1-4-18(3)19-6-12-22(13-7-19)28(26,27)23-20-8-10-21(11-9-20)25-16-14-24(5-2)15-17-25/h6-13,18,23H,4-5,14-17H2,1-3H3/p+1/t18-/m0/s1