4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-N-methyl-benzamide

Systemtic Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-N-methyl-benzamide Openeye Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-N-methyl-benzamide CAS Name: 4-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]sulfonyl]-N-methylbenzamide IUPAC Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]sulfonyl-N-methylbenzamide Traditional Name: 4-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]sulfonyl-N-methyl-benzamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N3O3S2/c1-20-18(23)13-8-10-14(11-9-13)27(24,25)22-12-4-6-16(22)19-21-15-5-2-3-7-17(15)26-19/h2-3,5,7-11,16H,4,6,12H2,1H3,(H,20,23)/t16-/m0/s1