methyl 1-[1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl 1-[1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxylate CAS Name: 1-[[1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxylate Traditional Name: 1-[1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H22ClN3O7S MolecularWeight: 459.90118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1CCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H22ClN3O7S/c1-29-18(24)15-3-2-8-21(15)17(23)12-6-9-20(10-7-12)30(27,28)16-11-13(22(25)26)4-5-14(16)19/h4-5,11-12,15H,2-3,6-10H2,1H3