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

Systemtic Name: 2-phenoxyethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: 2-phenoxyethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid 2-phenoxyethyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5S/c25-23(29-19-18-28-21-8-4-3-5-9-21)15-12-20-10-13-22(14-11-20)30(26,27)24-16-6-1-2-7-17-24/h3-5,8-15H,1-2,6-7,16-19H2