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

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H23N3O3S2/c1-3-15-6-4-8-18-19(15)22-21(28-18)23-20(25)17-7-5-13-24(17)29(26,27)16-11-9-14(2)10-12-16/h4,6,8-12,17H,3,5,7,13H2,1-2H3,(H,22,23,25)