[3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-[2-dimethylaminoethyl-(phenylmethyl)sulfamoyl]benzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-[2-dimethylaminoethyl-(phenylmethyl)sulfamoyl]benzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-[benzyl(2-dimethylaminoethyl)sulfamoyl]benzenesulfonate CAS Name: 2-[2-dimethylaminoethyl-(phenylmethyl)sulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-[benzyl(2-dimethylaminoethyl)sulfamoyl]benzenesulfonate Traditional Name: 2-[benzyl(2-dimethylaminoethyl)sulfamoyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C27H35N3O7S2 MolecularWeight: 577.7127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(CCN(C)C)CC3=CC=CC=C3)OCCCON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N(CCN(C)C)CC3=CC=CC=C3)OCCCON

InChI

InChI=1S/C27H35N3O7S2/c1-22-18-24(35-16-9-17-36-28)20-25(19-22)37-39(33,34)27-13-8-7-12-26(27)38(31,32)30(15-14-29(2)3)21-23-10-5-4-6-11-23/h4-8,10-13,18-20H,9,14-17,21,28H2,1-3H3