5-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide

Systemtic Name: 5-(4-methyl-4-oxidanidyl-piperazin-4-ium-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Openeye Name: 5-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide CAS Name: 5-(4-methyl-4-oxido-1-piperazin-4-iumyl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide IUPAC Name: 5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Traditional Name: 5-(4-methyl-4-oxido-piperazin-4-ium-1-yl)-3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)S(=O)C)[O-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2CC3=CC=CC=C3S(=O)C4=C2C=C(C=C4)S(=O)C)[O-]

InChI

InChI=1S/C20H24N2O3S2/c1-22(23)11-9-21(10-12-22)18-13-15-5-3-4-6-19(15)27(25)20-8-7-16(26(2)24)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3