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

Systemtic Name: (3S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-pentyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-pentyl-piperidine-3-carboxamide CAS Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-pentyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-pentylpiperidine-3-carboxamide Traditional Name: (3S)-N-amyl-1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotamide Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCCNC(=O)[C@H]1CCCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H25N3O3S/c1-2-3-6-11-19-18(22)14-8-7-12-21(13-14)17-15-9-4-5-10-16(15)25(23,24)20-17/h4-5,9-10,14H,2-3,6-8,11-13H2,1H3,(H,19,22)/t14-/m0/s1