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

Systemtic Name: 3-(2,5-dimethylphenyl)sulfonyl-1-heptyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 3-(2,5-dimethylphenyl)sulfonyl-1-heptyl-pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 3-(2,5-dimethylphenyl)sulfonyl-1-heptyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 3-(2,5-dimethylphenyl)sulfonyl-1-heptylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [3-(2,5-dimethylphenyl)sulfonyl-1-heptyl-pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=C(C=CC(=C4)C)C)N

Isomeric SMILES

CCCCCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=C(C=CC(=C4)C)C)N

InChI

InChI=1S/C25H30N4O2S/c1-4-5-6-7-10-15-29-24(26)23(32(30,31)21-16-17(2)13-14-18(21)3)22-25(29)28-20-12-9-8-11-19(20)27-22/h8-9,11-14,16H,4-7,10,15,26H2,1-3H3