7-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-4-methyl-chromen-2-one Openeye Name: 7-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-4-methyl-chromen-2-one CAS Name: 7-[4-(1-azepanylsulfonyl)-2-nitrophenoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[4-(azepan-1-ylsulfonyl)-2-nitrophenoxy]-4-methylchromen-2-one Traditional Name: 7-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-4-methyl-coumarin Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O7S/c1-15-12-22(25)31-21-13-16(6-8-18(15)21)30-20-9-7-17(14-19(20)24(26)27)32(28,29)23-10-4-2-3-5-11-23/h6-9,12-14H,2-5,10-11H2,1H3