N-[4-[[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[4-(6,7-dimethyl-3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[4-[[4-(6,7-dimethyl-3-phenyl-quinoxalin-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Formula: C29H31N5O3S MolecularWeight: 529.65314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)NC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(C(=N2)C3=CC=CC=C3)N4CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)NC(=O)C

InChI

InChI=1S/C29H31N5O3S/c1-20-18-26-27(19-21(20)2)32-29(28(31-26)23-8-5-4-6-9-23)33-14-7-15-34(17-16-33)38(36,37)25-12-10-24(11-13-25)30-22(3)35/h4-6,8-13,18-19H,7,14-17H2,1-3H3,(H,30,35)