2-[4-(4-chloranyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline

Systemtic Name: 2-[4-(4-chloranyl-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline Openeye Name: 2-[4-(4-chloro-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline CAS Name: 2-[4-(4-chloro-3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenylquinoxaline IUPAC Name: 2-[4-(4-chloro-3-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenylquinoxaline Traditional Name: 2-[4-(4-chloro-3-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]-3-phenyl-quinoxaline Formula: C25H22ClN5O4S MolecularWeight: 523.99128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5

InChI

InChI=1S/C25H22ClN5O4S/c26-20-12-11-19(17-23(20)31(32)33)36(34,35)30-14-6-13-29(15-16-30)25-24(18-7-2-1-3-8-18)27-21-9-4-5-10-22(21)28-25/h1-5,7-12,17H,6,13-16H2