(2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3-methylphenoxy)propanamide

Systemtic Name: (2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3-methylphenoxy)propanamide Openeye Name: (2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(3-methylphenoxy)propanamide CAS Name: (2S)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2-(3-methylphenoxy)propanamide IUPAC Name: (2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-(3-methylphenoxy)propanamide Traditional Name: (2S)-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2-(3-methylphenoxy)propionamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C(C)OC2=CC=CC(=C2)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)[C@H](C)OC2=CC=CC(=C2)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H28N2O5S/c1-4-28-20-11-10-18(15-21(20)30(26,27)24-12-5-6-13-24)23-22(25)17(3)29-19-9-7-8-16(2)14-19/h7-11,14-15,17H,4-6,12-13H2,1-3H3,(H,23,25)/t17-/m0/s1