1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-2-phenylpropyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-2-phenylpropyl]piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-[(2S)-2-phenylpropyl]isonipecotamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CNC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c1-16(17-7-3-2-4-8-17)15-23-22(26)18-11-13-25(14-12-18)21-19-9-5-6-10-20(19)29(27,28)24-21/h2-10,16,18H,11-15H2,1H3,(H,23,26)/t16-/m1/s1