[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 2-[5-(1-piperidylsulfonyl)-2-thienyl]acetate CAS Name: 2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]acetic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-piperidinosulfonyl-2-thienyl)acetic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C20H23ClN2O6S2/c1-28-17-7-5-14(11-16(17)21)22-18(24)13-29-19(25)12-15-6-8-20(30-15)31(26,27)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10,12-13H2,1H3,(H,22,24)