N,N-diethyl-4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-3-nitro-benzenesulfonamide Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OC(=N3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OC(=N3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5S/c1-4-21(5-2)28(25,26)14-7-8-15(17(11-14)22(23)24)20-13-6-9-18-16(10-13)19-12(3)27-18/h6-11,20H,4-5H2,1-3H3