1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine

Systemtic Name: 1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Openeye Name: 1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine CAS Name: 1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine IUPAC Name: 1-methyl-4-(3-methylsulfonyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Traditional Name: 1-(3-mesyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)25-20-8-7-16(14-17(18)20)26(2,23)24/h3-8,14,18H,9-13H2,1-2H3