4-[(1-nitrososulfanylcyclohexyl)methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(1-nitrososulfanylcyclohexyl)methyl-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzyl-[(1-nitrososulfanylcyclohexyl)methyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[1-(nitrosothio)cyclohexyl]methyl-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[benzyl-[(1-nitrososulfanylcyclohexyl)methyl]amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl-[[1-(nitrosothio)cyclohexyl]methyl]amino]-4-keto-butyric acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CN(CC2=CC=CC=C2)C(=O)CCC(=O)O)SN=O

Isomeric SMILES

C1CCC(CC1)(CN(CC2=CC=CC=C2)C(=O)CCC(=O)O)SN=O

InChI

InChI=1S/C18H24N2O4S/c21-16(9-10-17(22)23)20(13-15-7-3-1-4-8-15)14-18(25-19-24)11-5-2-6-12-18/h1,3-4,7-8H,2,5-6,9-14H2,(H,22,23)