[(6E)-1-(4-methylphenyl)sulfonyl-3,4,5,8-tetrahydro-2H-azocin-7-yl]methyl ethanoate

Systemtic Name: [(6E)-1-(4-methylphenyl)sulfonyl-3,4,5,8-tetrahydro-2H-azocin-7-yl]methyl ethanoate Openeye Name: [(6E)-1-(p-tolylsulfonyl)-3,4,5,8-tetrahydro-2H-azocin-7-yl]methyl acetate CAS Name: acetic acid [(6E)-1-(4-methylphenyl)sulfonyl-3,4,5,8-tetrahydro-2H-azocin-7-yl]methyl ester IUPAC Name: [(6E)-1-(4-methylphenyl)sulfonyl-3,4,5,8-tetrahydro-2H-azocin-7-yl]methyl acetate Traditional Name: acetic acid [(6E)-1-tosyl-3,4,5,8-tetrahydro-2H-azocin-7-yl]methyl ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC=C(C2)COC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC/C=C(\C2)/COC(=O)C

InChI

InChI=1S/C17H23NO4S/c1-14-7-9-17(10-8-14)23(20,21)18-11-5-3-4-6-16(12-18)13-22-15(2)19/h6-10H,3-5,11-13H2,1-2H3/b16-6+