4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]butanamide

Systemtic Name: 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]butyramide Formula: C23H32N5O4S+ MolecularWeight: 474.59628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O4S/c1-18(29)19-6-9-21(10-7-19)33(31,32)27(3)12-4-5-23(30)25-20-8-11-22(24-17-20)28-15-13-26(2)14-16-28/h6-11,17H,4-5,12-16H2,1-3H3,(H,25,30)/p+1