N,N-dimethyl-3-(3-methylsulfonylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine

Systemtic Name: N,N-dimethyl-3-(3-methylsulfonylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Openeye Name: N,N-dimethyl-3-(3-methylsulfonylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine CAS Name: N,N-dimethyl-3-(3-methylsulfonyl-5-benzo[b][1]benzothiepinyl)-2-propyn-1-amine IUPAC Name: N,N-dimethyl-3-(3-methylsulfonylbenzo[b][1]benzothiepin-5-yl)prop-2-yn-1-amine Traditional Name: 3-(3-mesylbenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-dimethyl-amine Formula: C20H19NO2S2 MolecularWeight: 369.50036

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO2S2/c1-21(2)12-6-8-15-13-16-7-4-5-9-19(16)24-20-11-10-17(14-18(15)20)25(3,22)23/h4-5,7,9-11,13-14H,12H2,1-3H3