1-[2-[(3-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-3-propan-2-yl-urea

Systemtic Name: 1-[2-[(3-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-3-propan-2-yl-urea Openeye Name: 1-isopropyl-3-[2-(3-methylanilino)-5-nitro-phenyl]sulfonyl-urea CAS Name: 1-[2-(3-methylanilino)-5-nitrophenyl]sulfonyl-3-propan-2-ylurea IUPAC Name: 1-[2-(3-methylanilino)-5-nitrophenyl]sulfonyl-3-propan-2-ylurea Traditional Name: 1-isopropyl-3-[2-(m-toluidino)-5-nitro-phenyl]sulfonyl-urea Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-11(2)18-17(22)20-27(25,26)16-10-14(21(23)24)7-8-15(16)19-13-6-4-5-12(3)9-13/h4-11,19H,1-3H3,(H2,18,20,22)