2-(4-chloranylphenoxy)ethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: 2-(4-chloranylphenoxy)ethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: 2-(4-chlorophenoxy)ethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid 2-(4-chlorophenoxy)ethyl ester IUPAC Name: 2-(4-chlorophenoxy)ethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid 2-(4-chlorophenoxy)ethyl ester Formula: C23H26ClNO5S MolecularWeight: 463.97424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCCOC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClNO5S/c24-20-8-10-21(11-9-20)29-17-18-30-23(26)14-7-19-5-12-22(13-6-19)31(27,28)25-15-3-1-2-4-16-25/h5-14H,1-4,15-18H2