N-cyclohexyl-N-methyl-6-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-pyridine-3-sulfonamide

Systemtic Name: N-cyclohexyl-N-methyl-6-[(3S)-2-oxidanylideneazepan-3-yl]sulfanyl-pyridine-3-sulfonamide Openeye Name: N-cyclohexyl-N-methyl-6-[(3S)-2-oxoazepan-3-yl]sulfanyl-pyridine-3-sulfonamide CAS Name: N-cyclohexyl-N-methyl-6-[[(3S)-2-oxo-3-azepanyl]thio]-3-pyridinesulfonamide IUPAC Name: N-cyclohexyl-N-methyl-6-[(3S)-2-oxoazepan-3-yl]sulfanylpyridine-3-sulfonamide Traditional Name: N-cyclohexyl-6-[[(3S)-2-ketoazepan-3-yl]thio]-N-methyl-pyridine-3-sulfonamide Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CN=C(C=C2)SC3CCCCNC3=O

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CN=C(C=C2)S[C@H]3CCCCNC3=O

InChI

InChI=1S/C18H27N3O3S2/c1-21(14-7-3-2-4-8-14)26(23,24)15-10-11-17(20-13-15)25-16-9-5-6-12-19-18(16)22/h10-11,13-14,16H,2-9,12H2,1H3,(H,19,22)/t16-/m0/s1