[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23ClN2O6S/c1-29-19-10-7-16(22)13-18(19)23-20(25)14-30-21(26)15-5-8-17(9-6-15)31(27,28)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,25)