N-[3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]quinoxalin-2-yl]benzenesulfonamide Formula: C27H26N6O2S MolecularWeight: 498.59934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCN(C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H26N6O2S/c28-19-21-11-13-22(14-12-21)20-32-15-6-16-33(18-17-32)27-26(29-24-9-4-5-10-25(24)30-27)31-36(34,35)23-7-2-1-3-8-23/h1-5,7-14H,6,15-18,20H2,(H,29,31)