[(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [(2R)-1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN2O5S2/c1-14(30-22(27)20-19(23)17-6-2-3-7-18(17)31-20)21(26)24-15-8-10-16(11-9-15)32(28,29)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,24,26)/t14-/m1/s1