(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C26H27NO6S MolecularWeight: 481.56068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H27NO6S/c1-19-6-12-23-21(17-26(29)33-24(23)16-19)18-32-25(28)13-9-20-7-10-22(11-8-20)34(30,31)27-14-4-2-3-5-15-27/h6-13,16-17H,2-5,14-15,18H2,1H3