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

Systemtic Name: 2-(4-methylphenoxy)ethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: 2-(4-methylphenoxy)ethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid 2-(4-methylphenoxy)ethyl ester Formula: C24H29NO5S MolecularWeight: 443.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCOC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCCOC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H29NO5S/c1-20-6-11-22(12-7-20)29-18-19-30-24(26)15-10-21-8-13-23(14-9-21)31(27,28)25-16-4-2-3-5-17-25/h6-15H,2-5,16-19H2,1H3