7-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-6-chloranyl-4-methyl-chromen-2-one

Systemtic Name: 7-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-6-chloranyl-4-methyl-chromen-2-one Openeye Name: 7-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-6-chloro-4-methyl-chromen-2-one CAS Name: 7-[4-(1-azepanylsulfonyl)-2-nitrophenoxy]-6-chloro-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[4-(azepan-1-ylsulfonyl)-2-nitrophenoxy]-6-chloro-4-methylchromen-2-one Traditional Name: 7-[4-(azepan-1-ylsulfonyl)-2-nitro-phenoxy]-6-chloro-4-methyl-coumarin Formula: C22H21ClN2O7S MolecularWeight: 492.92934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClN2O7S/c1-14-10-22(26)32-20-13-21(17(23)12-16(14)20)31-19-7-6-15(11-18(19)25(27)28)33(29,30)24-8-4-2-3-5-9-24/h6-7,10-13H,2-5,8-9H2,1H3