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

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C29H27NO6S MolecularWeight: 517.59278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C29H27NO6S/c31-27(16-11-21-9-13-24(14-10-21)37(33,34)30-17-5-1-2-6-18-30)35-20-23-19-28(32)36-26-15-12-22-7-3-4-8-25(22)29(23)26/h3-4,7-16,19H,1-2,5-6,17-18,20H2