1-tert-butyl-3-[2-[(2-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-urea

Systemtic Name: 1-tert-butyl-3-[2-[(2-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-urea Openeye Name: 1-tert-butyl-3-[2-(2-methylanilino)-5-nitro-phenyl]sulfonyl-urea CAS Name: 1-tert-butyl-3-[2-(2-methylanilino)-5-nitrophenyl]sulfonylurea IUPAC Name: 1-tert-butyl-3-[2-(2-methylanilino)-5-nitrophenyl]sulfonylurea Traditional Name: 1-tert-butyl-3-[5-nitro-2-(o-toluidino)phenyl]sulfonyl-urea Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C18H22N4O5S/c1-12-7-5-6-8-14(12)19-15-10-9-13(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)