[(E)-6-(4-acetamido-4-methyl-cyclohexyl)-2-methyl-4-(phenylsulfonyl)hept-5-en-3-yl] ethanoate

Systemtic Name: [(E)-6-(4-acetamido-4-methyl-cyclohexyl)-2-methyl-4-(phenylsulfonyl)hept-5-en-3-yl] ethanoate Openeye Name: [(E)-4-(4-acetamido-4-methyl-cyclohexyl)-2-(benzenesulfonyl)-1-isopropyl-pent-3-enyl] acetate CAS Name: acetic acid [(E)-6-(4-acetamido-4-methylcyclohexyl)-4-(benzenesulfonyl)-2-methylhept-5-en-3-yl] ester IUPAC Name: [(E)-6-(4-acetamido-4-methylcyclohexyl)-4-(benzenesulfonyl)-2-methylhept-5-en-3-yl] acetate Traditional Name: acetic acid [(E)-4-(4-acetamido-4-methyl-cyclohexyl)-2-besyl-1-isopropyl-pent-3-enyl] ester Formula: C25H37NO5S MolecularWeight: 463.62998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C=C(C)C1CCC(CC1)(C)NC(=O)C)S(=O)(=O)C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(C)C(C(/C=C(\C)/C1CCC(CC1)(C)NC(=O)C)S(=O)(=O)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C25H37NO5S/c1-17(2)24(31-20(5)28)23(32(29,30)22-10-8-7-9-11-22)16-18(3)21-12-14-25(6,15-13-21)26-19(4)27/h7-11,16-17,21,23-24H,12-15H2,1-6H3,(H,26,27)/b18-16+