4-methyl-N-(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)-2-[(phenylmethyl)carbamoylamino]pentanamide

Systemtic Name: 4-methyl-N-(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)-2-[(phenylmethyl)carbamoylamino]pentanamide Openeye Name: 2-(benzylcarbamoylamino)-4-methyl-N-[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]pentanamide CAS Name: 4-methyl-2-[[oxo-[(phenylmethyl)amino]methyl]amino]-N-[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]pentanamide IUPAC Name: 2-(benzylcarbamoylamino)-4-methyl-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide Traditional Name: 2-(benzylcarbamoylamino)-N-[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]-4-methyl-valeramide Formula: C25H33N5O5S MolecularWeight: 515.62502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H33N5O5S/c1-18(2)15-21(29-25(33)27-16-19-9-4-3-5-10-19)24(32)28-20-11-8-14-30(17-22(20)31)36(34,35)23-12-6-7-13-26-23/h3-7,9-10,12-13,18,20-21H,8,11,14-17H2,1-2H3,(H,28,32)(H2,27,29,33)