[2-[(4-methoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-2-[(4-methoxyphenyl)carbamoylamino]ethyl] ester Formula: C21H23N3O7S MolecularWeight: 461.48822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23N3O7S/c1-30-17-9-7-16(8-10-17)22-21(27)23-19(25)14-31-20(26)15-5-4-6-18(13-15)32(28,29)24-11-2-3-12-24/h4-10,13H,2-3,11-12,14H2,1H3,(H2,22,23,25,27)