N-[(2-methoxy-5-nitro-phenyl)methyl]-3-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)methyl]-3-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(2-methoxy-5-nitro-phenyl)methyl]-3-(1-piperidylsulfonyl)aniline CAS Name: N-[(2-methoxy-5-nitrophenyl)methyl]-3-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(2-methoxy-5-nitrophenyl)methyl]-3-piperidin-1-ylsulfonylaniline Traditional Name: (2-methoxy-5-nitro-benzyl)-(3-piperidinosulfonylphenyl)amine Formula: C19H23N3O5S MolecularWeight: 405.46802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H23N3O5S/c1-27-19-9-8-17(22(23)24)12-15(19)14-20-16-6-5-7-18(13-16)28(25,26)21-10-3-2-4-11-21/h5-9,12-13,20H,2-4,10-11,14H2,1H3