N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1-methyl-2-benzo[e][1,3]benzothiazolylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CN1C2=C(C=CC3=CC=CC=C32)SC1=NC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C23H21N3O3S2/c1-25-21-19-7-3-2-6-16(19)10-13-20(21)30-23(25)24-22(27)17-8-11-18(12-9-17)31(28,29)26-14-4-5-15-26/h2-3,6-13H,4-5,14-15H2,1H3