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

Systemtic Name: 7-chloranyl-4-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline Openeye Name: 7-chloro-4-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]pyrrolo[1,2-a]quinoxaline CAS Name: 7-chloro-4-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline IUPAC Name: 7-chloro-4-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)pyrrolo[1,2-a]quinoxaline Traditional Name: 7-chloro-4-[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]pyrrolo[1,2-a]quinoxaline Formula: C20H19ClN4O2S2 MolecularWeight: 446.97346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)C3=NC4=C(C=CC(=C4)Cl)N5C3=CC=C5

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)C3=NC4=C(C=CC(=C4)Cl)N5C3=CC=C5

InChI

InChI=1S/C20H19ClN4O2S2/c21-15-6-7-17-16(14-15)22-20(18-4-1-10-25(17)18)23-8-3-9-24(12-11-23)29(26,27)19-5-2-13-28-19/h1-2,4-7,10,13-14H,3,8-9,11-12H2