[1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H20ClN3O6S2 MolecularWeight: 485.9616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

InChI

InChI=1S/C19H20ClN3O6S2/c1-11(17(25)22-18-13(16(21)24)6-9-30-18)29-19(26)14-10-12(4-5-15(14)20)31(27,28)23-7-2-3-8-23/h4-6,9-11H,2-3,7-8H2,1H3,(H2,21,24)(H,22,25)