(4-chloranyl-2-cyclohexyl-phenyl) 4-(acetamidomethyl)benzenesulfonate

Systemtic Name: (4-chloranyl-2-cyclohexyl-phenyl) 4-(acetamidomethyl)benzenesulfonate Openeye Name: (4-chloro-2-cyclohexyl-phenyl) 4-(acetamidomethyl)benzenesulfonate CAS Name: 4-(acetamidomethyl)benzenesulfonic acid (4-chloro-2-cyclohexylphenyl) ester IUPAC Name: (4-chloro-2-cyclohexylphenyl) 4-(acetamidomethyl)benzenesulfonate Traditional Name: 4-(acetamidomethyl)benzenesulfonic acid (4-chloro-2-cyclohexyl-phenyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C3CCCCC3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C3CCCCC3

InChI

InChI=1S/C21H24ClNO4S/c1-15(24)23-14-16-7-10-19(11-8-16)28(25,26)27-21-12-9-18(22)13-20(21)17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,23,24)