1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(2S)-6-methylheptan-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(2S)-6-methylheptan-2-yl]piperidine-4-carboxamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-6-methylheptan-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[(2S)-6-methylheptan-2-yl]piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-[(1S)-1,5-dimethylhexyl]isonipecotamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3S/c1-15(2)7-6-8-16(3)22-21(25)17-11-13-24(14-12-17)20-18-9-4-5-10-19(18)28(26,27)23-20/h4-5,9-10,15-17H,6-8,11-14H2,1-3H3,(H,22,25)/t16-/m0/s1