[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid [2-(2-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-methylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid [2-(2-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H19BrN2O5S2 MolecularWeight: 487.38786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCC3)Br

InChI

InChI=1S/C18H19BrN2O5S2/c1-12-4-5-14(13(19)10-12)20-16(22)11-26-18(23)17-15(6-9-27-17)28(24,25)21-7-2-3-8-21/h4-6,9-10H,2-3,7-8,11H2,1H3,(H,20,22)