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

Systemtic Name: N-(1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-5-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-5-yl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3S2/c1-13-4-7-15(8-5-13)27(24,25)22-10-2-3-17(22)19(23)21-14-6-9-18-16(11-14)20-12-26-18/h4-9,11-12,17H,2-3,10H2,1H3,(H,21,23)