3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-4-methyl-benzenesulfonamide

Systemtic Name: 3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonyl-4-methyl-benzenesulfonamide Openeye Name: 3-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-benzenesulfonamide CAS Name: 3-[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]-4-methylbenzenesulfonamide IUPAC Name: 3-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-4-methylbenzenesulfonamide Traditional Name: 3-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-benzenesulfonamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O3S2/c1-12-8-9-13(27(20,24)25)11-14(12)19(23)22-10-4-6-16(22)18-21-15-5-2-3-7-17(15)26-18/h2-3,5,7-9,11,16H,4,6,10H2,1H3,(H2,20,24,25)