tert-butyl N-[4-methyl-1-[(7-methyl-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-methyl-1-[(7-methyl-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[[3-hydroxy-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[[3-hydroxy-7-methyl-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[[3-hydroxy-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C23H38N4O6S MolecularWeight: 498.63602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(CN1S(=O)(=O)C2=CC=CC=N2)O)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1CCC(C(CN1S(=O)(=O)C2=CC=CC=N2)O)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H38N4O6S/c1-15(2)13-18(26-22(30)33-23(4,5)6)21(29)25-17-11-10-16(3)27(14-19(17)28)34(31,32)20-9-7-8-12-24-20/h7-9,12,15-19,28H,10-11,13-14H2,1-6H3,(H,25,29)(H,26,30)