methyl 3-[[1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[1-(2-chloranyl-5-nitro-phenyl)sulfonylpiperidin-4-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[1-(2-chloro-5-nitro-phenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[1-(2-chloro-5-nitrophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-chloro-5-nitrophenyl)sulfonylpiperidine-4-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1-(2-chloro-5-nitro-phenyl)sulfonylisonipecotoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H22ClN3O7S/c1-13-3-4-15(21(27)32-2)11-18(13)23-20(26)14-7-9-24(10-8-14)33(30,31)19-12-16(25(28)29)5-6-17(19)22/h3-6,11-12,14H,7-10H2,1-2H3,(H,23,26)