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

Systemtic Name: (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic 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-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C25H24ClNO6S MolecularWeight: 501.97916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClNO6S/c26-21-11-8-16(14-23(21)34(30,31)27-12-3-1-2-4-13-27)24(28)32-17-9-10-19-18-6-5-7-20(18)25(29)33-22(19)15-17/h8-11,14-15H,1-7,12-13H2