4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide

Systemtic Name: 4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]butyramide Formula: C25H35N4O4S+ MolecularWeight: 487.6348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C25H34N4O4S/c1-19-18-22(29-16-14-27(3)15-17-29)9-12-24(19)26-25(31)6-5-13-28(4)34(32,33)23-10-7-21(8-11-23)20(2)30/h7-12,18H,5-6,13-17H2,1-4H3,(H,26,31)/p+1