1-(3-chlorophenyl)-3-[(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]urea

Systemtic Name: 1-(3-chlorophenyl)-3-[(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)amino]urea Openeye Name: 1-(3-chlorophenyl)-3-(2-morpholinosulfonyl-4-nitro-anilino)urea CAS Name: 1-(3-chlorophenyl)-3-[2-(4-morpholinylsulfonyl)-4-nitroanilino]urea IUPAC Name: 1-(3-chlorophenyl)-3-(2-morpholin-4-ylsulfonyl-4-nitroanilino)urea Traditional Name: 1-(3-chlorophenyl)-3-(2-morpholinosulfonyl-4-nitro-anilino)urea Formula: C17H18ClN5O6S MolecularWeight: 455.87272

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H18ClN5O6S/c18-12-2-1-3-13(10-12)19-17(24)21-20-15-5-4-14(23(25)26)11-16(15)30(27,28)22-6-8-29-9-7-22/h1-5,10-11,20H,6-9H2,(H2,19,21,24)