N-[(2-methoxypyridin-3-yl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(2-methoxypyridin-3-yl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(2-methoxy-3-pyridyl)methyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(2-methoxy-3-pyridinyl)methyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(2-methoxypyridin-3-yl)methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: (2-methoxy-3-pyridyl)methyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC=N1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-27-18-14(6-5-9-19-18)13-20-16-8-7-15(12-17(16)22(23)24)28(25,26)21-10-3-2-4-11-21/h5-9,12,20H,2-4,10-11,13H2,1H3