[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)C

InChI

InChI=1S/C21H23ClN2O5S/c1-14-9-15(2)11-16(10-14)21(26)29-13-20(25)23-19-12-17(5-6-18(19)22)30(27,28)24-7-3-4-8-24/h5-6,9-12H,3-4,7-8,13H2,1-2H3,(H,23,25)