N-[3-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]butan-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]butan-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]propyl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]butan-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]butan-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-2-methyl-propyl]-5-nitro-2-furamide Formula: C21H25N5O8S MolecularWeight: 507.5169

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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=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O8S/c1-13(2)19(24-20(28)16-8-9-18(34-16)26(30)31)21(29)23-14-6-5-11-25(12-15(14)27)35(32,33)17-7-3-4-10-22-17/h3-4,7-10,13-14,19H,5-6,11-12H2,1-2H3,(H,23,29)(H,24,28)