N-(2-methyl-1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)SC(=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC4=C(C=C3)SC(=N4)C

InChI

InChI=1S/C20H21N3O3S2/c1-13-5-8-16(9-6-13)28(25,26)23-11-3-4-18(23)20(24)22-15-7-10-19-17(12-15)21-14(2)27-19/h5-10,12,18H,3-4,11H2,1-2H3,(H,22,24)