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

Systemtic Name: [3-(3-azanyloxypropoxy)-5-methyl-phenyl] 2-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonate Openeye Name: [3-(3-aminooxypropoxy)-5-methyl-phenyl] 2-[(4-pyrrolidin-1-yl-1-piperidyl)sulfonyl]benzenesulfonate CAS Name: 2-[[4-(1-pyrrolidinyl)-1-piperidinyl]sulfonyl]benzenesulfonic acid [3-(3-aminooxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-aminooxypropoxy)-5-methylphenyl] 2-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-(4-pyrrolidinopiperidino)sulfonylbenzenesulfonic acid [3-(3-aminooxypropoxy)-5-methyl-phenyl] ester Formula: C25H35N3O7S2 MolecularWeight: 553.6913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCC(CC3)N4CCCC4)OCCCON

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCC(CC3)N4CCCC4)OCCCON

InChI

InChI=1S/C25H35N3O7S2/c1-20-17-22(33-15-6-16-34-26)19-23(18-20)35-37(31,32)25-8-3-2-7-24(25)36(29,30)28-13-9-21(10-14-28)27-11-4-5-12-27/h2-3,7-8,17-19,21H,4-6,9-16,26H2,1H3