N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanesulfonamide

Systemtic Name: N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanesulfonamide Openeye Name: N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanesulfonamide CAS Name: N-[5-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanesulfonamide IUPAC Name: N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanesulfonamide Traditional Name: N-[5-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]methanesulfonamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S2/c1-22-9-11-23(12-10-22)18-13-15-5-3-4-6-19(15)26-20-8-7-16(14-17(18)20)21-27(2,24)25/h3-8,14,18,21H,9-13H2,1-2H3