(2-nitrophenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (2-nitrophenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (2-nitrophenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2-nitrobenzyl) ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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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=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6S/c25-22(30-17-19-7-3-4-8-21(19)24(26)27)14-11-18-9-12-20(13-10-18)31(28,29)23-15-5-1-2-6-16-23/h3-4,7-14H,1-2,5-6,15-17H2/b14-11+