3-[[3-(benzotriazol-2-yl)-5-butan-2-yl-4-oxidanyl-phenyl]sulfonylamino]propyl-diethyl-methyl-azanium

Systemtic Name: 3-[[3-(benzotriazol-2-yl)-5-butan-2-yl-4-oxidanyl-phenyl]sulfonylamino]propyl-diethyl-methyl-azanium Openeye Name: 3-[[3-(benzotriazol-2-yl)-4-hydroxy-5-sec-butyl-phenyl]sulfonylamino]propyl-diethyl-methyl-ammonium CAS Name: 3-[[3-(2-benzotriazolyl)-5-butan-2-yl-4-hydroxyphenyl]sulfonylamino]propyl-diethyl-methylammonium IUPAC Name: 3-[[3-(benzotriazol-2-yl)-5-butan-2-yl-4-hydroxyphenyl]sulfonylamino]propyl-diethyl-methylazanium Traditional Name: 3-[[3-(benzotriazol-2-yl)-4-hydroxy-5-sec-butyl-phenyl]sulfonylamino]propyl-diethyl-methyl-ammonium Formula: C24H36N5O3S+ MolecularWeight: 474.63934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)NCCC[N+](C)(CC)CC

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1O)N2N=C3C=CC=CC3=N2)S(=O)(=O)NCCC[N+](C)(CC)CC

InChI

InChI=1S/C24H35N5O3S/c1-6-18(4)20-16-19(33(31,32)25-14-11-15-29(5,7-2)8-3)17-23(24(20)30)28-26-21-12-9-10-13-22(21)27-28/h9-10,12-13,16-18,25H,6-8,11,14-15H2,1-5H3/p+1