2-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-3-methyl-quinoxaline

Systemtic Name: 2-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-3-methyl-quinoxaline Openeye Name: 2-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-3-methyl-quinoxaline CAS Name: 2-[4-(4-butylphenyl)sulfonyl-1-piperazinyl]-3-methylquinoxaline IUPAC Name: 2-[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline Traditional Name: 2-[4-(4-butylphenyl)sulfonylpiperazino]-3-methyl-quinoxaline Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C

InChI

InChI=1S/C23H28N4O2S/c1-3-4-7-19-10-12-20(13-11-19)30(28,29)27-16-14-26(15-17-27)23-18(2)24-21-8-5-6-9-22(21)25-23/h5-6,8-13H,3-4,7,14-17H2,1-2H3