[2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(azanyl)benzoate

Systemtic Name: [2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(azanyl)benzoate Openeye Name: [2-[2-chloro-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 3,5-diaminobenzoate CAS Name: 3,5-diaminobenzoic acid [2-[2-chloro-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3,5-diaminobenzoate Traditional Name: 3,5-diaminobenzoic acid [2-(2-chloro-5-piperidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C20H23ClN4O5S MolecularWeight: 466.93842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC(=CC(=C3)N)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CC(=CC(=C3)N)N

InChI

InChI=1S/C20H23ClN4O5S/c21-17-5-4-16(31(28,29)25-6-2-1-3-7-25)11-18(17)24-19(26)12-30-20(27)13-8-14(22)10-15(23)9-13/h4-5,8-11H,1-3,6-7,12,22-23H2,(H,24,26)