[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate

Systemtic Name: [2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranylbenzoate Openeye Name: [2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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