1-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)amino]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-anilino)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)anilino]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonylanilino)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-anilino)-3-[3-(trifluoromethyl)phenyl]urea Formula: C18H18F3N5O5S MolecularWeight: 473.42623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NNC(=O)NC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N5O5S/c19-18(20,21)12-4-3-5-13(10-12)22-17(27)24-23-15-7-6-14(11-16(15)26(28)29)32(30,31)25-8-1-2-9-25/h3-7,10-11,23H,1-2,8-9H2,(H2,22,24,27)