1-[4-(benzotriazol-2-yl)-5-methoxy-2-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(benzotriazol-2-yl)-5-methoxy-2-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(benzotriazol-2-yl)-5-methoxy-2-methyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[4-(2-benzotriazolyl)-5-methoxy-2-methylphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(benzotriazol-2-yl)-5-methoxy-2-methylphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(benzotriazol-2-yl)-5-methoxy-2-methyl-phenyl]sulfonylproline Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCCC2C(=O)O)OC)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCCC2C(=O)O)OC)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C19H20N4O5S/c1-12-10-16(23-20-13-6-3-4-7-14(13)21-23)17(28-2)11-18(12)29(26,27)22-9-5-8-15(22)19(24)25/h3-4,6-7,10-11,15H,5,8-9H2,1-2H3,(H,24,25)