4-(2-azanyl-6-methyl-phenyl)butyl benzenesulfonate

Systemtic Name: 4-(2-azanyl-6-methyl-phenyl)butyl benzenesulfonate Openeye Name: 4-(2-amino-6-methyl-phenyl)butyl benzenesulfonate CAS Name: benzenesulfonic acid 4-(2-amino-6-methylphenyl)butyl ester IUPAC Name: 4-(2-amino-6-methylphenyl)butyl benzenesulfonate Traditional Name: benzenesulfonic acid 4-(2-amino-6-methyl-phenyl)butyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N)CCCCOS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)N)CCCCOS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H21NO3S/c1-14-8-7-12-17(18)16(14)11-5-6-13-21-22(19,20)15-9-3-2-4-10-15/h2-4,7-10,12H,5-6,11,13,18H2,1H3