3-methyl-2-[4-(2-nitrophenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]-N-(phenylmethyl)butanamide

Systemtic Name: 3-methyl-2-[4-(2-nitrophenyl)sulfonyl-7-oxidanylidene-1,4-diazepan-1-yl]-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-3-methyl-2-[4-(2-nitrophenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]butanamide CAS Name: 3-methyl-2-[4-(2-nitrophenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-3-methyl-2-[4-(2-nitrophenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]butanamide Traditional Name: N-benzyl-2-[7-keto-4-(2-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-methyl-butyramide Formula: C23H28N4O6S MolecularWeight: 488.55662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1)N2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=CC=C1)N2CCN(CCC2=O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6S/c1-17(2)22(23(29)24-16-18-8-4-3-5-9-18)26-15-14-25(13-12-21(26)28)34(32,33)20-11-7-6-10-19(20)27(30)31/h3-11,17,22H,12-16H2,1-2H3,(H,24,29)