2-(4-methylphenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,3-thiazole

Systemtic Name: 2-(4-methylphenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,3-thiazole Openeye Name: 4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-2-(p-tolyl)thiazole CAS Name: 2-(4-methylphenyl)-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]thiazole IUPAC Name: 2-(4-methylphenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,3-thiazole Traditional Name: 4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]-2-(p-tolyl)thiazole Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5S2/c1-15-4-6-16(7-5-15)21-22-17(14-30-21)13-29-20-9-8-18(12-19(20)24(25)26)31(27,28)23-10-2-3-11-23/h4-9,12,14H,2-3,10-11,13H2,1H3