methyl 2-[4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(4-chloro-2,5-dimethoxyanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(4-chloro-2,5-dimethoxy-phenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H25ClN2O7S MolecularWeight: 496.9611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC)OC)Cl

InChI

InChI=1S/C22H25ClN2O7S/c1-30-18-13-17(19(31-2)12-16(18)23)24-21(26)14-8-10-25(11-9-14)33(28,29)20-7-5-4-6-15(20)22(27)32-3/h4-7,12-14H,8-11H2,1-3H3,(H,24,26)