4-[[[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylphenyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[[(2S,6S)-2,6-dimethyl-1-piperidyl]sulfonyl]anilino]methyl]benzonitrile CAS Name: 4-[[4-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]sulfonyl]anilino]methyl]benzonitrile IUPAC Name: 4-[[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylanilino]methyl]benzonitrile Traditional Name: 4-[[4-[(2S,6S)-2,6-dimethylpiperidino]sulfonylanilino]methyl]benzonitrile Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)NCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C21H25N3O2S/c1-16-4-3-5-17(2)24(16)27(25,26)21-12-10-20(11-13-21)23-15-19-8-6-18(14-22)7-9-19/h6-13,16-17,23H,3-5,15H2,1-2H3/t16-,17-/m0/s1