[3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-(4-methylpiperazin-1-yl)sulfonylbenzenesulfonate

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-(4-methylpiperazin-1-yl)sulfonylbenzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-(4-methylpiperazin-1-yl)sulfonylbenzenesulfonate CAS Name: 2-[(4-methyl-1-piperazinyl)sulfonyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-(4-methylpiperazin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-(4-methylpiperazino)sulfonylbenzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C21H29N3O7S2 MolecularWeight: 499.60086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCN(CC3)C)OCCCON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCN(CC3)C)OCCCON

InChI

InChI=1S/C21H29N3O7S2/c1-17-14-18(29-12-5-13-30-22)16-19(15-17)31-33(27,28)21-7-4-3-6-20(21)32(25,26)24-10-8-23(2)9-11-24/h3-4,6-7,14-16H,5,8-13,22H2,1-2H3