[nitro(phenyl)methyl] 2-(4-methylpiperazin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: [nitro(phenyl)methyl] 2-(4-methylpiperazin-1-yl)carbonyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: [nitro(phenyl)methyl] 2-(4-methylpiperazine-1-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[(4-methyl-1-piperazinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 2-(4-methylpiperazine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 4-mercapto-2-(4-methylpiperazine-1-carbonyl)pyrrolidine-1-carboxylic acid [nitro(phenyl)methyl] ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2CC(CN2C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])S

Isomeric SMILES

CN1CCN(CC1)C(=O)C2CC(CN2C(=O)OC(C3=CC=CC=C3)[N+](=O)[O-])S

InChI

InChI=1S/C18H24N4O5S/c1-19-7-9-20(10-8-19)16(23)15-11-14(28)12-21(15)18(24)27-17(22(25)26)13-5-3-2-4-6-13/h2-6,14-15,17,28H,7-12H2,1H3