N-[4-(cyclohexylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide

Systemtic Name: N-[4-(cyclohexylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide Openeye Name: N-[4-(cyclohexylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide CAS Name: N-[4-(cyclohexylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide IUPAC Name: N-[4-(cyclohexylmethylamino)-3-nitrophenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide Traditional Name: N-[4-(cyclohexylmethylamino)-3-nitro-phenyl]sulfonyl-4-(2-methyl-1,3-benzothiazol-5-yl)benzamide Formula: C28H28N4O5S2 MolecularWeight: 564.67572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCC5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCC5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O5S2/c1-18-30-25-15-22(11-14-27(25)38-18)20-7-9-21(10-8-20)28(33)31-39(36,37)23-12-13-24(26(16-23)32(34)35)29-17-19-5-3-2-4-6-19/h7-16,19,29H,2-6,17H2,1H3,(H,31,33)