5-[3-(dimethylamino)prop-1-ynyl]-N,N-dimethyl-benzo[b][1]benzothiepine-3-sulfonamide

Systemtic Name: 5-[3-(dimethylamino)prop-1-ynyl]-N,N-dimethyl-benzo[b][1]benzothiepine-3-sulfonamide Openeye Name: 5-[3-(dimethylamino)prop-1-ynyl]-N,N-dimethyl-benzo[b][1]benzothiepine-3-sulfonamide CAS Name: 5-[3-(dimethylamino)prop-1-ynyl]-N,N-dimethyl-3-benzo[b][1]benzothiepinsulfonamide IUPAC Name: 5-[3-(dimethylamino)prop-1-ynyl]-N,N-dimethylbenzo[b][1]benzothiepine-3-sulfonamide Traditional Name: 5-[3-(dimethylamino)prop-1-ynyl]-N,N-dimethyl-benzo[b][1]benzothiepin-3-sulfonamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C

Isomeric SMILES

CN(C)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H22N2O2S2/c1-22(2)13-7-9-16-14-17-8-5-6-10-20(17)26-21-12-11-18(15-19(16)21)27(24,25)23(3)4/h5-6,8,10-12,14-15H,13H2,1-4H3