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

Systemtic Name: (E)-3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]prop-2-enoate CAS Name: (E)-3-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-propenoate IUPAC Name: (E)-3-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]prop-2-enoate Traditional Name: (E)-3-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]acrylate Formula: C16H20NO4S- MolecularWeight: 322.3993

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC(=O)[O-])S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C(=O)[O-])S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H21NO4S/c1-13-6-7-14(8-9-16(18)19)12-15(13)22(20,21)17-10-4-2-3-5-11-17/h6-9,12H,2-5,10-11H2,1H3,(H,18,19)/p-1/b9-8+