N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(S)-(4-methoxyphenyl)-phenyl-methyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H20N2O3S/c1-26-18-12-10-17(11-13-18)21(16-7-3-2-4-8-16)22-19(24)15-27-20-9-5-6-14-23(20)25/h2-14,21H,15H2,1H3,(H,22,24)/t21-/m0/s1