1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)sulfonyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-(3,4-dimethylphenyl)sulfonyl-1-piperonyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC6=C(C=C5)OCO6)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC5=CC6=C(C=C5)OCO6)N)C

InChI

InChI=1S/C26H22N4O4S/c1-15-7-9-18(11-16(15)2)35(31,32)24-23-26(29-20-6-4-3-5-19(20)28-23)30(25(24)27)13-17-8-10-21-22(12-17)34-14-33-21/h3-12H,13-14,27H2,1-2H3