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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-aniline Openeye Name: N-[(3-methoxyphenyl)methyl]-4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-aniline CAS Name: N-[(3-methoxyphenyl)methyl]-4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroaniline IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroaniline Traditional Name: m-anisyl-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]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(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-15-5-4-10-22(14-15)29(26,27)18-8-9-19(20(12-18)23(24)25)21-13-16-6-3-7-17(11-16)28-2/h3,6-9,11-12,15,21H,4-5,10,13-14H2,1-2H3/t15-/m0/s1