1-(2-ethoxy-4-methyl-5-propan-2-yl-phenyl)sulfonyl-2-methyl-5-nitro-imidazole

Systemtic Name: 1-(2-ethoxy-4-methyl-5-propan-2-yl-phenyl)sulfonyl-2-methyl-5-nitro-imidazole Openeye Name: 1-(2-ethoxy-5-isopropyl-4-methyl-phenyl)sulfonyl-2-methyl-5-nitro-imidazole CAS Name: 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-5-nitroimidazole IUPAC Name: 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-5-nitroimidazole Traditional Name: 1-(2-ethoxy-5-isopropyl-4-methyl-phenyl)sulfonyl-2-methyl-5-nitro-imidazole Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)C(C)C)S(=O)(=O)N2C(=NC=C2[N+](=O)[O-])C

InChI

InChI=1S/C16H21N3O5S/c1-6-24-14-7-11(4)13(10(2)3)8-15(14)25(22,23)18-12(5)17-9-16(18)19(20)21/h7-10H,6H2,1-5H3