methyl 1-[2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(5-chloranyl-2-methoxy-phenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(5-chloro-2-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C23H26ClN3O8S MolecularWeight: 539.98584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)N2CCC(CC2)C(=O)OC)C3=C(C=CC(=C3)Cl)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H26ClN3O8S/c1-15-4-6-18(13-19(15)27(30)31)36(32,33)26(20-12-17(24)5-7-21(20)34-2)14-22(28)25-10-8-16(9-11-25)23(29)35-3/h4-7,12-13,16H,8-11,14H2,1-3H3