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

Systemtic Name: 4-methoxy-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzenesulfonamide Openeye Name: 4-methoxy-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzenesulfonamide CAS Name: 4-methoxy-3-nitro-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]benzenesulfonamide IUPAC Name: 4-methoxy-3-nitro-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)benzenesulfonamide Traditional Name: 4-methoxy-3-nitro-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)benzenesulfonamide Formula: C18H18N4O5S2 MolecularWeight: 434.48932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S2/c1-27-16-7-5-13(11-15(16)22(23)24)29(25,26)20-12-4-6-14-17(10-12)28-18(19-14)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3