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

Systemtic Name: 1-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid Openeye Name: 1-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid CAS Name: 1-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid IUPAC Name: 1-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine; methanesulfonic acid Traditional Name: 1-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; mesylic acid Formula: C26H38N2O6S3 MolecularWeight: 570.78472

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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.CS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2S.2CH4O3S/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;2*1-5(2,3)4/h4-5,8-11,16,18,22H,2-3,6-7,12-15,17H2,1H3;2*1H3,(H,2,3,4)