1-butyl-3-[4-[(4-methoxy-2-nitro-phenyl)sulfonylamino]phenyl]sulfonyl-urea

Systemtic Name: 1-butyl-3-[4-[(4-methoxy-2-nitro-phenyl)sulfonylamino]phenyl]sulfonyl-urea Openeye Name: 1-butyl-3-[4-[(4-methoxy-2-nitro-phenyl)sulfonylamino]phenyl]sulfonyl-urea CAS Name: 1-butyl-3-[4-[(4-methoxy-2-nitrophenyl)sulfonylamino]phenyl]sulfonylurea IUPAC Name: 1-butyl-3-[4-[(4-methoxy-2-nitrophenyl)sulfonylamino]phenyl]sulfonylurea Traditional Name: 1-butyl-3-[4-[(4-methoxy-2-nitro-phenyl)sulfonylamino]phenyl]sulfonyl-urea Formula: C18H22N4O8S2 MolecularWeight: 486.51928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O8S2/c1-3-4-11-19-18(23)21-31(26,27)15-8-5-13(6-9-15)20-32(28,29)17-10-7-14(30-2)12-16(17)22(24)25/h5-10,12,20H,3-4,11H2,1-2H3,(H2,19,21,23)