1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-5-nitro-phenyl]sulfonyl-3-tert-butyl-urea

Systemtic Name: 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-5-nitro-phenyl]sulfonyl-3-tert-butyl-urea Openeye Name: 1-[2-(4-bromo-3-methyl-anilino)-5-nitro-phenyl]sulfonyl-3-tert-butyl-urea CAS Name: 1-[2-(4-bromo-3-methylanilino)-5-nitrophenyl]sulfonyl-3-tert-butylurea IUPAC Name: 1-[2-(4-bromo-3-methylanilino)-5-nitrophenyl]sulfonyl-3-tert-butylurea Traditional Name: 1-[2-(4-bromo-3-methyl-anilino)-5-nitro-phenyl]sulfonyl-3-tert-butyl-urea Formula: C18H21BrN4O5S MolecularWeight: 485.35214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)NC(C)(C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)NC(C)(C)C)Br

InChI

InChI=1S/C18H21BrN4O5S/c1-11-9-12(5-7-14(11)19)20-15-8-6-13(23(25)26)10-16(15)29(27,28)22-17(24)21-18(2,3)4/h5-10,20H,1-4H3,(H2,21,22,24)