1-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid; hydrate

Systemtic Name: 1-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid; hydrate Openeye Name: 1-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid; hydrate CAS Name: 1-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid; hydrate IUPAC Name: 1-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid; hydrate Traditional Name: 1-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; mesylic acid; hydrate Formula: C25H36N2O4S2 MolecularWeight: 492.69434

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C5CCCC5.CS(=O)(=O)O.O

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C5CCCC5.CS(=O)(=O)O.O

InChI

InChI=1S/C24H30N2S.CH4O3S.H2O/c1-25-12-14-26(15-13-25)22-17-20-8-4-5-9-23(20)27-24-11-10-19(16-21(22)24)18-6-2-3-7-18;1-5(2,3)4;/h4-5,8-11,16,18,22H,2-3,6-7,12-15,17H2,1H3;1H3,(H,2,3,4);1H2