3-methylsulfonyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide

Systemtic Name: 3-methylsulfonyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Openeye Name: 3-methylsulfonyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide CAS Name: 3-methylsulfonyl-5-(1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide IUPAC Name: 3-methylsulfonyl-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide Traditional Name: 3-mesyl-5-piperazino-5,6-dihydrobenzo[b][1]benzothiepin 11-oxide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2N4CCNCC4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3CC2N4CCNCC4

InChI

InChI=1S/C19H22N2O3S2/c1-26(23,24)15-6-7-19-16(13-15)17(21-10-8-20-9-11-21)12-14-4-2-3-5-18(14)25(19)22/h2-7,13,17,20H,8-12H2,1H3