N',N'-diethyl-N-[7-(phenylsulfonyl)-3-thiophen-2-yl-quinoxalin-2-yl]butane-1,4-diamine

Systemtic Name: N',N'-diethyl-N-[7-(phenylsulfonyl)-3-thiophen-2-yl-quinoxalin-2-yl]butane-1,4-diamine Openeye Name: N-[7-(benzenesulfonyl)-3-(2-thienyl)quinoxalin-2-yl]-N',N'-diethyl-butane-1,4-diamine CAS Name: N-[7-(benzenesulfonyl)-3-thiophen-2-yl-2-quinoxalinyl]-N',N'-diethylbutane-1,4-diamine IUPAC Name: N-[7-(benzenesulfonyl)-3-thiophen-2-ylquinoxalin-2-yl]-N',N'-diethylbutane-1,4-diamine Traditional Name: 4-[[7-besyl-3-(2-thienyl)quinoxalin-2-yl]amino]butyl-diethyl-amine Formula: C26H30N4O2S2 MolecularWeight: 494.672

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCNC1=NC2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)N=C1C4=CC=CS4

Isomeric SMILES

CCN(CC)CCCCNC1=NC2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)N=C1C4=CC=CS4

InChI

InChI=1S/C26H30N4O2S2/c1-3-30(4-2)17-9-8-16-27-26-25(24-13-10-18-33-24)28-22-15-14-21(19-23(22)29-26)34(31,32)20-11-6-5-7-12-20/h5-7,10-15,18-19H,3-4,8-9,16-17H2,1-2H3,(H,27,29)