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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-15-4-3-11-22(14-15)29(26,27)18-9-10-19(20(12-18)23(24)25)21-13-16-5-7-17(28-2)8-6-16/h5-10,12,15,21H,3-4,11,13-14H2,1-2H3/t15-/m0/s1