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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

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