4-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-methoxy-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrrolidinosulfonyl-benzamide Formula: C19H18N4O6S2 MolecularWeight: 462.49942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H18N4O6S2/c1-29-15-7-4-12(10-17(15)31(27,28)22-8-2-3-9-22)18(24)21-19-20-14-6-5-13(23(25)26)11-16(14)30-19/h4-7,10-11H,2-3,8-9H2,1H3,(H,20,21,24)