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

Systemtic Name: N-[(2S)-4-methyl-1-oxidanylidene-1-[(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)amino]pentan-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[(1S)-3-methyl-1-[[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]butyl]-5-nitro-furan-2-carboxamide CAS Name: N-[(2S)-4-methyl-1-oxo-1-[[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]pentan-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[(2S)-4-methyl-1-oxo-1-[(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]pentan-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[(1S)-1-[[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]carbamoyl]-3-methyl-butyl]-5-nitro-2-furamide Formula: C22H27N5O8S MolecularWeight: 521.54348

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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)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O8S/c1-14(2)12-16(25-22(30)18-8-9-20(35-18)27(31)32)21(29)24-15-6-5-11-26(13-17(15)28)36(33,34)19-7-3-4-10-23-19/h3-4,7-10,14-16H,5-6,11-13H2,1-2H3,(H,24,29)(H,25,30)/t15?,16-/m0/s1