2-[[4-[3-(1,3-benzodioxol-5-ylcarbonylamino)propoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid

Systemtic Name: 2-[[4-[3-(1,3-benzodioxol-5-ylcarbonylamino)propoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid Openeye Name: 2-[[4-[3-(1,3-benzodioxole-5-carbonylamino)propoxy]phenyl]sulfonyl-methyl-amino]-3-methyl-benzoic acid CAS Name: 2-[[4-[3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]propoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid IUPAC Name: 2-[[4-[3-(1,3-benzodioxole-5-carbonylamino)propoxy]phenyl]sulfonyl-methylamino]-3-methylbenzoic acid Traditional Name: 3-methyl-2-[methyl-[4-[3-(piperonyloylamino)propoxy]phenyl]sulfonyl-amino]benzoic acid Formula: C26H26N2O8S MolecularWeight: 526.55824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N(C)S(=O)(=O)C2=CC=C(C=C2)OCCCNC(=O)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1N(C)S(=O)(=O)C2=CC=C(C=C2)OCCCNC(=O)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C26H26N2O8S/c1-17-5-3-6-21(26(30)31)24(17)28(2)37(32,33)20-10-8-19(9-11-20)34-14-4-13-27-25(29)18-7-12-22-23(15-18)36-16-35-22/h3,5-12,15H,4,13-14,16H2,1-2H3,(H,27,29)(H,30,31)