(4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C27H27NO6S MolecularWeight: 493.57138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OC3=CC4=C(C=C3)C5=C(CCC5)C(=O)O4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OC3=CC4=C(C=C3)C5=C(CCC5)C(=O)O4

InChI

InChI=1S/C27H27NO6S/c29-26(33-20-11-14-23-22-6-5-7-24(22)27(30)34-25(23)18-20)15-10-19-8-12-21(13-9-19)35(31,32)28-16-3-1-2-4-17-28/h8-15,18H,1-7,16-17H2