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

Systemtic Name: [2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-[4-(diethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O6S/c1-3-26(4-2)23(29)18-10-12-20(13-11-18)25-22(28)17-33-24(30)19-8-7-9-21(16-19)34(31,32)27-14-5-6-15-27/h7-13,16H,3-6,14-15,17H2,1-2H3,(H,25,28)