[2-azanyl-7-cyano-5,5-dimethyl-3-oxidanyl-1-phenyl-3-(phenylsulfonylmethyl)heptan-2-yl]carbamic acid; ethanamine

Systemtic Name: [2-azanyl-7-cyano-5,5-dimethyl-3-oxidanyl-1-phenyl-3-(phenylsulfonylmethyl)heptan-2-yl]carbamic acid; ethanamine Openeye Name: [1-amino-2-(benzenesulfonylmethyl)-1-benzyl-6-cyano-2-hydroxy-4,4-dimethyl-hexyl]carbamic acid; ethanamine CAS Name: [2-amino-3-(benzenesulfonylmethyl)-7-cyano-3-hydroxy-5,5-dimethyl-1-phenylheptan-2-yl]carbamic acid; ethanamine IUPAC Name: [2-amino-3-(benzenesulfonylmethyl)-7-cyano-3-hydroxy-5,5-dimethyl-1-phenylheptan-2-yl]carbamic acid; ethanamine Traditional Name: [1-amino-1-benzyl-2-(besylmethyl)-6-cyano-2-hydroxy-4,4-dimethyl-hexyl]carbamic acid; ethylamine Formula: C26H38N4O5S MolecularWeight: 518.66872

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Descriptors Computed from Structure

Canonical SMILES:

CCN.CC(C)(CCC#N)CC(CS(=O)(=O)C1=CC=CC=C1)(C(CC2=CC=CC=C2)(N)NC(=O)O)O

Isomeric SMILES

CCN.CC(C)(CCC#N)CC(CS(=O)(=O)C1=CC=CC=C1)(C(CC2=CC=CC=C2)(N)NC(=O)O)O

InChI

InChI=1S/C24H31N3O5S.C2H7N/c1-22(2,14-9-15-25)17-23(30,18-33(31,32)20-12-7-4-8-13-20)24(26,27-21(28)29)16-19-10-5-3-6-11-19;1-2-3/h3-8,10-13,27,30H,9,14,16-18,26H2,1-2H3,(H,28,29);2-3H2,1H3