N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-(1-methyl-2-benzo[e][1,3]benzothiazolylidene)-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)isonipecotamide Formula: C22H21N3O3S3 MolecularWeight: 471.61544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H21N3O3S3/c1-24-20-17-6-3-2-5-15(17)8-9-18(20)30-22(24)23-21(26)16-10-12-25(13-11-16)31(27,28)19-7-4-14-29-19/h2-9,14,16H,10-13H2,1H3