3-oxidanylidenebutan-2-yl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: 3-oxidanylidenebutan-2-yl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (1-methyl-2-oxo-propyl) (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (2-keto-1-methyl-propyl) ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5S/c1-15(21)16(2)25-19(22)12-9-17-7-10-18(11-8-17)26(23,24)20-13-5-3-4-6-14-20/h7-12,16H,3-6,13-14H2,1-2H3/b12-9+