4-(cyclohexylmethylamino)-3-nitro-5-pyrimidin-2-yl-benzenesulfonamide

Systemtic Name: 4-(cyclohexylmethylamino)-3-nitro-5-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-(cyclohexylmethylamino)-3-nitro-5-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-(cyclohexylmethylamino)-3-nitro-5-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-(cyclohexylmethylamino)-3-nitro-5-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-(cyclohexylmethylamino)-3-nitro-5-(2-pyrimidyl)benzenesulfonamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC2=C(C=C(C=C2C3=NC=CC=N3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CNC2=C(C=C(C=C2C3=NC=CC=N3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c18-27(25,26)13-9-14(17-19-7-4-8-20-17)16(15(10-13)22(23)24)21-11-12-5-2-1-3-6-12/h4,7-10,12,21H,1-3,5-6,11H2,(H2,18,25,26)