N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxy-propanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(4-methylphenyl)-4-oxidanylidene-chromen-3-yl]oxy-propanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-oxo-2-(p-tolyl)chromen-3-yl]oxy-propanamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[[2-(4-methylphenyl)-4-oxo-1-benzopyran-3-yl]oxy]propanamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(4-methylphenyl)-4-oxochromen-3-yl]oxypropanamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[4-keto-2-(p-tolyl)chromen-3-yl]oxy-propionamide Formula: C31H32N2O6S MolecularWeight: 560.66058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(C)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OC(C)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C31H32N2O6S/c1-21-11-13-23(14-12-21)29-30(28(34)26-9-5-6-10-27(26)39-29)38-22(2)31(35)32-24-15-17-25(18-16-24)40(36,37)33-19-7-3-4-8-20-33/h5-6,9-18,22H,3-4,7-8,19-20H2,1-2H3,(H,32,35)