[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoate CAS Name: 4-(2-methyl-5-nitrophenyl)sulfonyloxybenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(2-methyl-5-nitrophenyl)sulfonyloxybenzoate Traditional Name: 4-(2-methyl-5-nitro-phenyl)sulfonyloxybenzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H26N2O8S/c1-16-7-10-19(25(28)29)15-21(16)34(30,31)33-20-11-8-18(9-12-20)23(27)32-17(2)22(26)24-13-5-3-4-6-14-24/h7-12,15,17H,3-6,13-14H2,1-2H3