N-[3-[methyl-[5-(2-methylphenyl)carbonyl-1,3-thiazol-2-yl]amino]propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[3-[methyl-[5-(2-methylphenyl)carbonyl-1,3-thiazol-2-yl]amino]propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-[methyl-[5-(2-methylbenzoyl)thiazol-2-yl]amino]propyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[methyl-[5-[(2-methylphenyl)-oxomethyl]-2-thiazolyl]amino]propyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-[methyl-(5-o-toluoylthiazol-2-yl)amino]propyl]-4-nitro-benzenesulfonamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CN=C(S2)N(C)CCCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CN=C(S2)N(C)CCCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O5S2/c1-15-6-3-4-7-18(15)20(26)19-14-22-21(31-19)24(2)13-5-12-23-32(29,30)17-10-8-16(9-11-17)25(27)28/h3-4,6-11,14,23H,5,12-13H2,1-2H3