1-[2-[(4-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-3-(phenylmethyl)urea

Systemtic Name: 1-[2-[(4-methylphenyl)amino]-5-nitro-phenyl]sulfonyl-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-(4-methylanilino)-5-nitro-phenyl]sulfonyl-urea CAS Name: 1-[2-(4-methylanilino)-5-nitrophenyl]sulfonyl-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-(4-methylanilino)-5-nitrophenyl]sulfonylurea Traditional Name: 1-benzyl-3-[5-nitro-2-(p-toluidino)phenyl]sulfonyl-urea Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O5S/c1-15-7-9-17(10-8-15)23-19-12-11-18(25(27)28)13-20(19)31(29,30)24-21(26)22-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H2,22,24,26)