1-(4-methoxyphenyl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Openeye Name: 1-(4-methoxyphenyl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide CAS Name: 1-(4-methoxyphenyl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(4-methoxyphenyl)sulfonyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H21N3O4S2/c1-13-21-17-10-5-14(12-19(17)28-13)22-20(24)18-4-3-11-23(18)29(25,26)16-8-6-15(27-2)7-9-16/h5-10,12,18H,3-4,11H2,1-2H3,(H,22,24)