2-methyl-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-1,3-benzoxazol-5-amine

Systemtic Name: 2-methyl-N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-1,3-benzoxazol-5-amine Openeye Name: 2-methyl-N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-1,3-benzoxazol-5-amine CAS Name: 2-methyl-N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1,3-benzoxazol-5-amine IUPAC Name: 2-methyl-N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1,3-benzoxazol-5-amine Traditional Name: (2-methyl-1,3-benzoxazol-5-yl)-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-13-20-17-11-14(5-8-19(17)28-13)21-16-7-6-15(12-18(16)23(24)25)29(26,27)22-9-3-2-4-10-22/h5-8,11-12,21H,2-4,9-10H2,1H3