N-[(3-methoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N-[(3-methoxyphenyl)methyl]-4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-aniline CAS Name: N-[(3-methoxyphenyl)methyl]-4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitroaniline IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitroaniline Traditional Name: m-anisyl-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]amine Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-15-8-10-22(11-9-15)29(26,27)18-6-7-19(20(13-18)23(24)25)21-14-16-4-3-5-17(12-16)28-2/h3-7,12-13,15,21H,8-11,14H2,1-2H3