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

Systemtic Name: methyl 3-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-4-methyl-benzoate CAS Name: 3-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-4-methylbenzoate Traditional Name: 3-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-4-methyl-benzoic acid methyl ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H21ClN2O5S/c1-13-5-6-15(20(25)28-2)11-17(13)22-19(24)14-7-8-16(21)18(12-14)29(26,27)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,24)