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

Systemtic Name: methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S/c1-21-16(18)11-8-14-6-9-15(10-7-14)22(19,20)17-12-4-2-3-5-13-17/h6-11H,2-5,12-13H2,1H3/b11-8+