methyl 2-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[1-(4-methoxyphenyl)sulfonylprolyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NC4=C(S3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H21N3O6S2/c1-29-14-6-8-15(9-7-14)32(27,28)24-11-3-4-17(24)19(25)23-21-22-16-10-5-13(20(26)30-2)12-18(16)31-21/h5-10,12,17H,3-4,11H2,1-2H3,(H,22,23,25)