N-[3-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]butan-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]butan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[2-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]propyl]quinoxaline-2-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]butan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]butan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-2-methyl-propyl]quinoxaline-2-carboxamide Formula: C25H28N6O5S MolecularWeight: 524.59202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C25H28N6O5S/c1-16(2)23(30-24(33)20-14-27-17-8-3-4-9-18(17)28-20)25(34)29-19-10-7-13-31(15-21(19)32)37(35,36)22-11-5-6-12-26-22/h3-6,8-9,11-12,14,16,19,23H,7,10,13,15H2,1-2H3,(H,29,34)(H,30,33)