ethyl (2S)-1-(2-benzamido-5-chloranyl-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S)-1-(2-benzamido-5-chloranyl-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: ethyl (2S)-1-(2-benzamido-5-chloro-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-benzamido-5-chloro-4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S)-1-(2-benzamido-5-chloro-4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-benzamido-5-chloro-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid ethyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN1S(=O)(=O)C2=C(C=C(C(=C2)Cl)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN1S(=O)(=O)C2=C(C=C(C(=C2)Cl)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23ClN2O5S/c1-3-29-21(26)18-10-7-11-24(18)30(27,28)19-13-16(22)14(2)12-17(19)23-20(25)15-8-5-4-6-9-15/h4-6,8-9,12-13,18H,3,7,10-11H2,1-2H3,(H,23,25)/t18-/m0/s1