3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(p-phenetylsulfonylamino)propionamide Formula: C23H33N4O4S+ MolecularWeight: 461.59752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=C(C=C(C=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C23H32N4O4S/c1-4-31-20-6-8-21(9-7-20)32(29,30)24-12-11-23(28)25-22-10-5-19(17-18(22)2)27-15-13-26(3)14-16-27/h5-10,17,24H,4,11-16H2,1-3H3,(H,25,28)/p+1