methyl 4-chloranyl-3-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(2-methoxy-5-pyrrolidin-1-ylsulfonyl-benzoyl)amino]benzoate CAS Name: 4-chloro-3-[[[2-methoxy-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-chloro-3-[(2-methoxy-5-pyrrolidinosulfonyl-benzoyl)amino]benzoic acid methyl ester Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C20H21ClN2O6S/c1-28-18-8-6-14(30(26,27)23-9-3-4-10-23)12-15(18)19(24)22-17-11-13(20(25)29-2)5-7-16(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)