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

Systemtic Name: methyl 4-[[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]benzoate CAS Name: 4-[oxo-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]hydrazo]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbamoyl]benzoate Traditional Name: 4-[[(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=C(C=C1)C(=O)NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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