[4-methyl-1-[(7-methyl-3-oxidanyl-azepan-4-yl)-pyridin-2-ylsulfonyl-amino]-1-oxidanylidene-pentan-2-yl]carbamic acid

Systemtic Name: [4-methyl-1-[(7-methyl-3-oxidanyl-azepan-4-yl)-pyridin-2-ylsulfonyl-amino]-1-oxidanylidene-pentan-2-yl]carbamic acid Openeye Name: [1-[(3-hydroxy-7-methyl-azepan-4-yl)-(2-pyridylsulfonyl)carbamoyl]-3-methyl-butyl]carbamic acid CAS Name: [1-[(3-hydroxy-7-methyl-4-azepanyl)-(2-pyridinylsulfonyl)amino]-4-methyl-1-oxopentan-2-yl]carbamic acid IUPAC Name: [1-[(3-hydroxy-7-methylazepan-4-yl)-pyridin-2-ylsulfonylamino]-4-methyl-1-oxopentan-2-yl]carbamic acid Traditional Name: [1-[(3-hydroxy-7-methyl-azepan-4-yl)-(2-pyridylsulfonyl)carbamoyl]-3-methyl-butyl]carbamic acid Formula: C19H30N4O6S MolecularWeight: 442.5297

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(CN1)O)N(C(=O)C(CC(C)C)NC(=O)O)S(=O)(=O)C2=CC=CC=N2

Isomeric SMILES

CC1CCC(C(CN1)O)N(C(=O)C(CC(C)C)NC(=O)O)S(=O)(=O)C2=CC=CC=N2

InChI

InChI=1S/C19H30N4O6S/c1-12(2)10-14(22-19(26)27)18(25)23(15-8-7-13(3)21-11-16(15)24)30(28,29)17-6-4-5-9-20-17/h4-6,9,12-16,21-22,24H,7-8,10-11H2,1-3H3,(H,26,27)