6-(azepan-1-yl)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]pyridine-3-carboxamide

Systemtic Name: 6-(azepan-1-yl)-N-[1,1-bis(oxidanylidene)thiolan-3-yl]pyridine-3-carboxamide Openeye Name: 6-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide CAS Name: 6-(1-azepanyl)-N-(1,1-dioxo-3-thiolanyl)-3-pyridinecarboxamide IUPAC Name: 6-(azepan-1-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide Traditional Name: 6-(azepan-1-yl)-N-(1,1-diketothiolan-3-yl)nicotinamide Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)C(=O)NC3CCS(=O)(=O)C3

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)C(=O)NC3CCS(=O)(=O)C3

InChI

InChI=1S/C16H23N3O3S/c20-16(18-14-7-10-23(21,22)12-14)13-5-6-15(17-11-13)19-8-3-1-2-4-9-19/h5-6,11,14H,1-4,7-10,12H2,(H,18,20)