[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23N3O6S/c1-15(25)22-17-7-9-18(10-8-17)23-20(26)14-30-21(27)16-5-4-6-19(13-16)31(28,29)24-11-2-3-12-24/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,25)(H,23,26)