[2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[[2,6-bis(chloranyl)-3-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(2,6-dichloro-3-methyl-anilino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(2,6-dichloro-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20Cl2N2O5S MolecularWeight: 471.3542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C20H20Cl2N2O5S/c1-13-7-8-16(21)19(18(13)22)23-17(25)12-29-20(26)14-5-4-6-15(11-14)30(27,28)24-9-2-3-10-24/h4-8,11H,2-3,9-10,12H2,1H3,(H,23,25)