[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H26ClN3O7S MolecularWeight: 523.98644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H26ClN3O7S/c1-14-11-19(15(2)26(14)17-3-4-17)21(28)13-34-23(29)16-7-9-25(10-8-16)35(32,33)22-12-18(27(30)31)5-6-20(22)24/h5-6,11-12,16-17H,3-4,7-10,13H2,1-2H3