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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: dimethyl-[4-[(2-nitro-4-piperidinosulfonyl-anilino)methyl]phenyl]amine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-22(2)17-8-6-16(7-9-17)15-21-19-11-10-18(14-20(19)24(25)26)29(27,28)23-12-4-3-5-13-23/h6-11,14,21H,3-5,12-13,15H2,1-2H3