N-(6-nitro-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide Openeye Name: 2,4,6-triisopropyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzenesulfonamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide Traditional Name: 2,4,6-triisopropyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzenesulfonamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-12(2)15-9-17(13(3)4)21(18(10-15)14(5)6)31(28,29)24-22-23-19-8-7-16(25(26)27)11-20(19)30-22/h7-14H,1-6H3,(H,23,24)