N-[4-[[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[4-(3-phenyl-2-quinoxalinyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Traditional Name: N-[4-[[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O3S/c1-20(33)28-22-12-14-23(15-13-22)36(34,35)32-17-7-16-31(18-19-32)27-26(21-8-3-2-4-9-21)29-24-10-5-6-11-25(24)30-27/h2-6,8-15H,7,16-19H2,1H3,(H,28,33)