(5S)-1-(4-methylphenyl)sulfonyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one

Systemtic Name: (5S)-1-(4-methylphenyl)sulfonyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyrrolidin-2-one Openeye Name: (5S)-1-(p-tolylsulfonyl)-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one CAS Name: (5S)-1-(4-methylphenyl)sulfonyl-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-pyrrolidinone IUPAC Name: (5S)-1-(4-methylphenyl)sulfonyl-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one Traditional Name: (5S)-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1-tosyl-2-pyrrolidone Formula: C21H25N4O4S+ MolecularWeight: 429.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H](CCC2=O)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H24N4O4S/c1-16-5-7-17(8-6-16)30(28,29)25-18(9-10-20(25)26)21(27)24-14-12-23(13-15-24)19-4-2-3-11-22-19/h2-8,11,18H,9-10,12-15H2,1H3/p+1/t18-/m0/s1