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

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Openeye Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide CAS Name: 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]butanamide IUPAC Name: 4-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-methyl-amino]-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butyramide Formula: C23H33N4O4S+ MolecularWeight: 461.59752

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H32N4O4S/c1-25-15-17-27(18-16-25)20-8-6-19(7-9-20)24-23(28)5-4-14-26(2)32(29,30)22-12-10-21(31-3)11-13-22/h6-13H,4-5,14-18H2,1-3H3,(H,24,28)/p+1