(2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-cycloheptyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-cycloheptyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-cycloheptyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-cycloheptyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-cycloheptyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-cycloheptyl-1-(1,1-diketo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CCCC(CC1)NC(=O)[C@@H]2CCCN2C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H25N3O3S/c23-19(20-14-8-3-1-2-4-9-14)16-11-7-13-22(16)18-15-10-5-6-12-17(15)26(24,25)21-18/h5-6,10,12,14,16H,1-4,7-9,11,13H2,(H,20,23)/t16-/m0/s1