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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(3-methoxyphenyl)methyl]-N-methyl-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(3-methoxyphenyl)methyl]-N-methyl-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(3-methoxyphenyl)methyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: m-anisyl-methyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC(=CC=C1)OC)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-21(15-16-7-6-8-17(13-16)28-2)19-10-9-18(14-20(19)23(24)25)29(26,27)22-11-4-3-5-12-22/h6-10,13-14H,3-5,11-12,15H2,1-2H3