1-[2-(3,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylsulfonyl-pyrrolo[3,2-b]quinoxalin-2-amine Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-amine CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylsulfonyl-2-pyrrolo[3,2-b]quinoxalinamine IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine Traditional Name: [1-homoveratryl-3-(2-thienylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]amine Formula: C24H22N4O4S2 MolecularWeight: 494.58588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CS5)N)OC

InChI

InChI=1S/C24H22N4O4S2/c1-31-18-10-9-15(14-19(18)32-2)11-12-28-23(25)22(34(29,30)20-8-5-13-33-20)21-24(28)27-17-7-4-3-6-16(17)26-21/h3-10,13-14H,11-12,25H2,1-2H3