[3-cyclohexyl-1-[(3-oxidanylazepan-4-yl)amino]-1-oxidanylidene-2-pyridin-2-ylsulfonyl-propan-2-yl]carbamic acid

Systemtic Name: [3-cyclohexyl-1-[(3-oxidanylazepan-4-yl)amino]-1-oxidanylidene-2-pyridin-2-ylsulfonyl-propan-2-yl]carbamic acid Openeye Name: [1-(cyclohexylmethyl)-2-[(3-hydroxyazepan-4-yl)amino]-2-oxo-1-(2-pyridylsulfonyl)ethyl]carbamic acid CAS Name: [3-cyclohexyl-1-[(3-hydroxy-4-azepanyl)amino]-1-oxo-2-(2-pyridinylsulfonyl)propan-2-yl]carbamic acid IUPAC Name: [3-cyclohexyl-1-[(3-hydroxyazepan-4-yl)amino]-1-oxo-2-pyridin-2-ylsulfonylpropan-2-yl]carbamic acid Traditional Name: [1-(cyclohexylmethyl)-2-[(3-hydroxyazepan-4-yl)amino]-2-keto-1-(2-pyridylsulfonyl)ethyl]carbamic acid Formula: C21H32N4O6S MolecularWeight: 468.56698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2CCCNCC2O)(NC(=O)O)S(=O)(=O)C3=CC=CC=N3

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2CCCNCC2O)(NC(=O)O)S(=O)(=O)C3=CC=CC=N3

InChI

InChI=1S/C21H32N4O6S/c26-17-14-22-11-6-9-16(17)24-19(27)21(25-20(28)29,13-15-7-2-1-3-8-15)32(30,31)18-10-4-5-12-23-18/h4-5,10,12,15-17,22,25-26H,1-3,6-9,11,13-14H2,(H,24,27)(H,28,29)