(2S)-N-benzo[e][1,3]benzothiazol-2-yl-1-methylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-benzo[e][1,3]benzothiazol-2-yl-1-methylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-benzo[e][1,3]benzothiazol-2-yl-1-methylsulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-(2-benzo[e][1,3]benzothiazolyl)-1-methylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-benzo[e][1,3]benzothiazol-2-yl-1-methylsulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-benzo[e][1,3]benzothiazol-2-yl-1-mesyl-pyrrolidine-2-carboxamide Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC1C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)N1CCC[C@H]1C(=O)NC2=NC3=C(S2)C=CC4=CC=CC=C43

InChI

InChI=1S/C17H17N3O3S2/c1-25(22,23)20-10-4-7-13(20)16(21)19-17-18-15-12-6-3-2-5-11(12)8-9-14(15)24-17/h2-3,5-6,8-9,13H,4,7,10H2,1H3,(H,18,19,21)/t13-/m0/s1