(3R)-1-(4-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(4-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3R)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxamide CAS Name: (3R)-1-(4-methylphenyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-1-(4-methylphenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-5-keto-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(p-tolyl)pyrrolidine-3-carboxamide Formula: C23H29N4O4S+ MolecularWeight: 457.56576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H28N4O4S/c1-17-3-7-20(8-4-17)27-16-18(15-22(27)28)23(29)24-19-5-9-21(10-6-19)32(30,31)26-13-11-25(2)12-14-26/h3-10,18H,11-16H2,1-2H3,(H,24,29)/p+1/t18-/m1/s1