5-ethynyl-N,N-dimethyl-benzo[b][1]benzothiepine-3-sulfonamide

Systemtic Name: 5-ethynyl-N,N-dimethyl-benzo[b][1]benzothiepine-3-sulfonamide Openeye Name: 5-ethynyl-N,N-dimethyl-benzo[b][1]benzothiepine-3-sulfonamide CAS Name: 5-ethynyl-N,N-dimethyl-3-benzo[b][1]benzothiepinsulfonamide IUPAC Name: 5-ethynyl-N,N-dimethylbenzo[b][1]benzothiepine-3-sulfonamide Traditional Name: 5-ethynyl-N,N-dimethyl-benzo[b][1]benzothiepin-3-sulfonamide Formula: C18H15NO2S2 MolecularWeight: 341.4472

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#C

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C=C2C#C

InChI

InChI=1S/C18H15NO2S2/c1-4-13-11-14-7-5-6-8-17(14)22-18-10-9-15(12-16(13)18)23(20,21)19(2)3/h1,5-12H,2-3H3