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

Systemtic Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(1-methyl-2-benzo[e][1,3]benzothiazolylidene)-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C21H19N3O3S3 MolecularWeight: 457.58886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4CCCN4S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H19N3O3S3/c1-23-19-15-7-3-2-6-14(15)10-11-17(19)29-21(23)22-20(25)16-8-4-12-24(16)30(26,27)18-9-5-13-28-18/h2-3,5-7,9-11,13,16H,4,8,12H2,1H3