(2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-chloro-2-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H23ClN2O4S/c1-14-13-16(21)5-10-19(14)27-15(2)20(24)22-17-6-8-18(9-7-17)28(25,26)23-11-3-4-12-23/h5-10,13,15H,3-4,11-12H2,1-2H3,(H,22,24)/t15-/m0/s1