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

Systemtic Name: (2,4-dichlorophenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (2,4-dichlorophenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (2,4-dichlorophenyl)methyl ester IUPAC Name: (2,4-dichlorophenyl)methyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2,4-dichlorobenzyl) ester Formula: C22H23Cl2NO4S MolecularWeight: 468.39332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2NO4S/c23-19-9-8-18(21(24)15-19)16-29-22(26)12-7-17-5-10-20(11-6-17)30(27,28)25-13-3-1-2-4-14-25/h5-12,15H,1-4,13-14,16H2