methyl 4-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]benzoate CAS Name: 4-[[4-chloro-3-(1-pyrrolidinylsulfonyl)anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]benzoate Traditional Name: 4-[(4-chloro-3-pyrrolidinosulfonyl-phenyl)carbamoyl]benzoic acid methyl ester Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H19ClN2O5S/c1-27-19(24)14-6-4-13(5-7-14)18(23)21-15-8-9-16(20)17(12-15)28(25,26)22-10-2-3-11-22/h4-9,12H,2-3,10-11H2,1H3,(H,21,23)