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

Systemtic Name: N-(4-methylphenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-1,3-thiazol-2-amine Openeye Name: 4-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-N-(p-tolyl)thiazol-2-amine CAS Name: N-(4-methylphenyl)-4-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-2-thiazolamine IUPAC Name: N-(4-methylphenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,3-thiazol-2-amine Traditional Name: [4-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]thiazol-2-yl]-(p-tolyl)amine Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c1-15-4-6-16(7-5-15)22-21-23-17(14-31-21)13-30-20-9-8-18(12-19(20)25(26)27)32(28,29)24-10-2-3-11-24/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,22,23)