N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[4-[(2-methyl-1-piperidyl)methyl]phenyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[4-[(2-methyl-1-piperidinyl)methyl]phenyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[4-[(2-methylpiperidino)methyl]phenyl]amine Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1CC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-15-5-3-4-12-22(15)14-16-6-8-17(9-7-16)21-19-11-10-18(28(2,26)27)13-20(19)23(24)25/h6-11,13,15,21H,3-5,12,14H2,1-2H3