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

Systemtic Name: (3-nitrophenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (3-nitrophenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (3-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=CC(=O)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6S/c25-22(30-17-19-6-5-7-20(16-19)24(26)27)13-10-18-8-11-21(12-9-18)31(28,29)23-14-3-1-2-4-15-23/h5-13,16H,1-4,14-15,17H2