N,N-dimethyl-5-[4-(3-oxidanylpropyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide

Systemtic Name: N,N-dimethyl-5-[4-(3-oxidanylpropyl)piperazin-1-yl]-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide Openeye Name: 5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide CAS Name: 5-[4-(3-hydroxypropyl)-1-piperazinyl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepin-3-sulfonamide IUPAC Name: 5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide Traditional Name: 5-[4-(3-hydroxypropyl)piperazino]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepin-3-sulfonamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO

InChI

InChI=1S/C23H31N3O3S2/c1-24(2)31(28,29)19-8-9-23-20(17-19)21(16-18-6-3-4-7-22(18)30-23)26-13-11-25(12-14-26)10-5-15-27/h3-4,6-9,17,21,27H,5,10-16H2,1-2H3