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

Systemtic Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(1-methyl-2-benzo[e][1,3]benzothiazolylidene)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pipecolinamide 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)C4CCCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4CCCCN4S(=O)(=O)C5=CC=CS5

InChI

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