[3-(2-chlorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [3-(2-chlorophenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [3-(2-chlorophenyl)-2-methyl-4-oxo-chromen-7-yl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [3-(2-chlorophenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chlorophenyl)-2-methyl-4-oxochromen-7-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [3-(2-chlorophenyl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C29H26ClNO6S MolecularWeight: 552.03784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C29H26ClNO6S/c1-19-27(23-8-4-5-9-25(23)30)28(32)24-15-12-21(18-26(24)36-19)37-29(33)20-10-13-22(14-11-20)38(34,35)31-16-6-2-3-7-17-31/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3