methyl (2S)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]sulfonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]sulfonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[4-[(4-phenylthiazol-2-yl)amino]phenyl]sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-[4-[(4-phenyl-2-thiazolyl)amino]phenyl]sulfonyl-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[4-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[(4-phenylthiazol-2-yl)amino]phenyl]sulfonylpyrrolidine-2-carboxylic acid methyl ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S2/c1-28-20(25)19-8-5-13-24(19)30(26,27)17-11-9-16(10-12-17)22-21-23-18(14-29-21)15-6-3-2-4-7-15/h2-4,6-7,9-12,14,19H,5,8,13H2,1H3,(H,22,23)/t19-/m0/s1