N-[(1S)-1-cyclohexylethyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-2-[2-(phenylsulfonyl)ethylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-N-[(1S)-1-cyclohexylethyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-N-[(1S)-1-cyclohexylethyl]pyridine-3-carboxamide Traditional Name: 2-(2-besylethylthio)-N-[(1S)-1-cyclohexylethyl]nicotinamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C(N=CC=C2)SCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S2/c1-17(18-9-4-2-5-10-18)24-21(25)20-13-8-14-23-22(20)28-15-16-29(26,27)19-11-6-3-7-12-19/h3,6-8,11-14,17-18H,2,4-5,9-10,15-16H2,1H3,(H,24,25)/t17-/m0/s1