[4-(4-azanyl-2,3-dimethyl-phenyl)-1-butyl-piperidin-2-yl]methyl benzenesulfonate

Systemtic Name: [4-(4-azanyl-2,3-dimethyl-phenyl)-1-butyl-piperidin-2-yl]methyl benzenesulfonate Openeye Name: [4-(4-amino-2,3-dimethyl-phenyl)-1-butyl-2-piperidyl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [4-(4-amino-2,3-dimethylphenyl)-1-butyl-2-piperidinyl]methyl ester IUPAC Name: [4-(4-amino-2,3-dimethylphenyl)-1-butylpiperidin-2-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [4-(4-amino-2,3-dimethyl-phenyl)-1-butyl-2-piperidyl]methyl ester Formula: C24H34N2O3S MolecularWeight: 430.60336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=C(C(=C(C=C3)N)C)C

Isomeric SMILES

CCCCN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=C(C(=C(C=C3)N)C)C

InChI

InChI=1S/C24H34N2O3S/c1-4-5-14-26-15-13-20(23-11-12-24(25)19(3)18(23)2)16-21(26)17-29-30(27,28)22-9-7-6-8-10-22/h6-12,20-21H,4-5,13-17,25H2,1-3H3