methyl 3-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 3-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]carbamoyl]benzoate Openeye Name: methyl 3-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]benzoate CAS Name: 3-[oxo-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]benzoate Traditional Name: 3-[[(4-pyrrolidinosulfonylbenzoyl)amino]carbamoyl]benzoic acid methyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H21N3O6S/c1-29-20(26)16-6-4-5-15(13-16)19(25)22-21-18(24)14-7-9-17(10-8-14)30(27,28)23-11-2-3-12-23/h4-10,13H,2-3,11-12H2,1H3,(H,21,24)(H,22,25)