3-azanyl-N-[1-(hydroxymethyl)cyclohexyl]-4-(4-methylsulfonylphenyl)-2-oxidanyl-butanamide hydrochloride

Systemtic Name: 3-azanyl-N-[1-(hydroxymethyl)cyclohexyl]-4-(4-methylsulfonylphenyl)-2-oxidanyl-butanamide hydrochloride Openeye Name: 3-amino-2-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-4-(4-methylsulfonylphenyl)butanamide hydrochloride CAS Name: 3-amino-2-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-4-(4-methylsulfonylphenyl)butanamide hydrochloride IUPAC Name: 3-amino-2-hydroxy-N-[1-(hydroxymethyl)cyclohexyl]-4-(4-methylsulfonylphenyl)butanamide hydrochloride Traditional Name: 3-amino-2-hydroxy-4-(4-mesylphenyl)-N-(1-methylolcyclohexyl)butyramide hydrochloride Formula: C18H29ClN2O5S MolecularWeight: 420.95126

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(C(C(=O)NC2(CCCCC2)CO)O)N.Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(C(C(=O)NC2(CCCCC2)CO)O)N.Cl

InChI

InChI=1S/C18H28N2O5S.ClH/c1-26(24,25)14-7-5-13(6-8-14)11-15(19)16(22)17(23)20-18(12-21)9-3-2-4-10-18;/h5-8,15-16,21-22H,2-4,9-12,19H2,1H3,(H,20,23);1H