methyl 2-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxypropanoate

Systemtic Name: methyl 2-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxypropanoate Openeye Name: methyl 2-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxypropanoate CAS Name: 2-[(E)-3-[4-(1-azepanylsulfonyl)phenyl]-1-oxoprop-2-enoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]oxypropanoate Traditional Name: 2-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acryloyl]oxypropionic acid methyl ester Formula: C19H25NO6S MolecularWeight: 395.4699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C(=O)OC)OC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H25NO6S/c1-15(19(22)25-2)26-18(21)12-9-16-7-10-17(11-8-16)27(23,24)20-13-5-3-4-6-14-20/h7-12,15H,3-6,13-14H2,1-2H3/b12-9+