[4-(cyanomethyl)cyclohexyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(cyanomethyl)cyclohexyl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(cyanomethyl)cyclohexyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(cyanomethyl)cyclohexyl]methyl ester IUPAC Name: [4-(cyanomethyl)cyclohexyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(cyanomethyl)cyclohexyl]methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(CC2)CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(CC2)CC#N

InChI

InChI=1S/C16H21NO3S/c1-13-2-8-16(9-3-13)21(18,19)20-12-15-6-4-14(5-7-15)10-11-17/h2-3,8-9,14-15H,4-7,10,12H2,1H3