ethyl 3-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate

Systemtic Name: ethyl 3-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate Openeye Name: ethyl 3-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-6,7-dimethyl-quinoxaline-2-carboxylate CAS Name: 3-[4-(4-butylphenyl)sulfonyl-1-piperazinyl]-6,7-dimethyl-2-quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate Traditional Name: 3-[4-(4-butylphenyl)sulfonylpiperazino]-6,7-dimethyl-quinoxaline-2-carboxylic acid ethyl ester Formula: C27H34N4O4S MolecularWeight: 510.64826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=C(C=C(C(=C4)C)C)N=C3C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=C(C=C(C(=C4)C)C)N=C3C(=O)OCC

InChI

InChI=1S/C27H34N4O4S/c1-5-7-8-21-9-11-22(12-10-21)36(33,34)31-15-13-30(14-16-31)26-25(27(32)35-6-2)28-23-17-19(3)20(4)18-24(23)29-26/h9-12,17-18H,5-8,13-16H2,1-4H3