[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H18ClN3O6S2 MolecularWeight: 471.93502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N)Cl

InChI

InChI=1S/C18H18ClN3O6S2/c19-13-4-3-11(9-14(13)30(26,27)22-6-1-2-7-22)18(25)28-10-15(23)21-17-12(16(20)24)5-8-29-17/h3-5,8-9H,1-2,6-7,10H2,(H2,20,24)(H,21,23)