[6-[3-chloranylpropyl(methyl)carbamoyl]cyclohex-3-en-1-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-[3-chloranylpropyl(methyl)carbamoyl]cyclohex-3-en-1-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-[3-chloropropyl(methyl)carbamoyl]cyclohex-3-en-1-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-[[3-chloropropyl(methyl)amino]-oxomethyl]-1-cyclohex-3-enyl]methyl ester IUPAC Name: [6-[3-chloropropyl(methyl)carbamoyl]cyclohex-3-en-1-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-[3-chloropropyl(methyl)carbamoyl]cyclohex-3-en-1-yl]methyl ester Formula: C19H26ClNO4S MolecularWeight: 399.93204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC=CCC2C(=O)N(C)CCCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC=CCC2C(=O)N(C)CCCCl

InChI

InChI=1S/C19H26ClNO4S/c1-15-8-10-17(11-9-15)26(23,24)25-14-16-6-3-4-7-18(16)19(22)21(2)13-5-12-20/h3-4,8-11,16,18H,5-7,12-14H2,1-2H3