N-[[4-(methoxymethyl)phenyl]methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COCC1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-28-15-17-7-5-16(6-8-17)14-21-19-10-9-18(13-20(19)23(24)25)29(26,27)22-11-3-2-4-12-22/h5-10,13,21H,2-4,11-12,14-15H2,1H3