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

Systemtic Name: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O6S2/c1-3-24-19-17(31-2)12-15(25(27)28)13-18(19)32-21(24)22-20(26)14-6-8-16(9-7-14)33(29,30)23-10-4-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3