(2S)-2-(2,6-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-(2,6-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(2,6-dimethylphenoxy)-N-[4-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: (2S)-2-(2,6-dimethylphenoxy)-N-[4-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(2,6-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(2,6-dimethylphenoxy)-N-(4-piperidinosulfonylphenyl)propionamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)O[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-16-8-7-9-17(2)21(16)28-18(3)22(25)23-19-10-12-20(13-11-19)29(26,27)24-14-5-4-6-15-24/h7-13,18H,4-6,14-15H2,1-3H3,(H,23,25)/t18-/m0/s1