7-chloranyl-4-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyrrolo[1,2-a]quinoxaline

Systemtic Name: 7-chloranyl-4-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]pyrrolo[1,2-a]quinoxaline Openeye Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-7-chloro-pyrrolo[1,2-a]quinoxaline CAS Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-7-chloropyrrolo[1,2-a]quinoxaline IUPAC Name: 4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-7-chloropyrrolo[1,2-a]quinoxaline Traditional Name: 4-(4-besyl-1,4-diazepan-1-yl)-7-chloro-pyrrolo[1,2-a]quinoxaline Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC4=C(C=CC(=C4)Cl)N5C3=CC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC4=C(C=CC(=C4)Cl)N5C3=CC=C5

InChI

InChI=1S/C22H21ClN4O2S/c23-17-9-10-20-19(16-17)24-22(21-8-4-13-27(20)21)25-11-5-12-26(15-14-25)30(28,29)18-6-2-1-3-7-18/h1-4,6-10,13,16H,5,11-12,14-15H2