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

Systemtic Name: 7-chloranyl-4-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]pyrrolo[1,2-a]quinoxaline Openeye Name: 4-(4-benzylsulfonyl-1,4-diazepan-1-yl)-7-chloro-pyrrolo[1,2-a]quinoxaline CAS Name: 7-chloro-4-[4-(phenylmethyl)sulfonyl-1,4-diazepan-1-yl]pyrrolo[1,2-a]quinoxaline IUPAC Name: 4-(4-benzylsulfonyl-1,4-diazepan-1-yl)-7-chloropyrrolo[1,2-a]quinoxaline Traditional Name: 4-(4-benzylsulfonyl-1,4-diazepan-1-yl)-7-chloro-pyrrolo[1,2-a]quinoxaline Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4)Cl)N5C3=CC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)CC2=CC=CC=C2)C3=NC4=C(C=CC(=C4)Cl)N5C3=CC=C5

InChI

InChI=1S/C23H23ClN4O2S/c24-19-9-10-21-20(16-19)25-23(22-8-4-13-28(21)22)26-11-5-12-27(15-14-26)31(29,30)17-18-6-2-1-3-7-18/h1-4,6-10,13,16H,5,11-12,14-15,17H2