1-[4-(3-methyl-4-propan-2-yl-phenoxy)-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-(3-methyl-4-propan-2-yl-phenoxy)-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-(4-isopropyl-3-methyl-phenoxy)-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-(3-methyl-4-propan-2-ylphenoxy)-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-(3-methyl-4-propan-2-ylphenoxy)-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-(4-isopropyl-3-methyl-phenoxy)-3-nitro-phenyl]sulfonylazepane Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C22H28N2O5S/c1-16(2)20-10-8-18(14-17(20)3)29-22-11-9-19(15-21(22)24(25)26)30(27,28)23-12-6-4-5-7-13-23/h8-11,14-16H,4-7,12-13H2,1-3H3