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

Systemtic Name: naphthalen-1-ylmethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: 1-naphthylmethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid 1-naphthylmethyl ester Formula: C26H27NO4S MolecularWeight: 449.56188

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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=CC4=CC=CC=C43

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H27NO4S/c28-26(31-20-23-10-7-9-22-8-3-4-11-25(22)23)17-14-21-12-15-24(16-13-21)32(29,30)27-18-5-1-2-6-19-27/h3-4,7-17H,1-2,5-6,18-20H2