1-(4-methoxyphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H21N3O4S2/c1-13-5-3-7-17-18(13)21-20(28-17)22-19(24)16-6-4-12-23(16)29(25,26)15-10-8-14(27-2)9-11-15/h3,5,7-11,16H,4,6,12H2,1-2H3,(H,21,22,24)