3-chloranyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide

Systemtic Name: 3-chloranyl-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide Openeye Name: 3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide CAS Name: 3-chloro-5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin 11,11-dioxide IUPAC Name: 3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide Traditional Name: 3-chloro-5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin 11,11-dioxide Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)(=O)C4=C2C=C(C=C4)Cl

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)(=O)C4=C2C=C(C=C4)Cl

InChI

InChI=1S/C19H21ClN2O2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)25(23,24)19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3