(2S)-2-(2-bromophenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: (2S)-2-(2-bromophenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: (2S)-2-(2-bromophenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: (2S)-2-[(2-bromophenyl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(2-bromophenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[(2-bromophenyl)thio]-N-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=CC=CC=C3Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=CC=CC=C3Br

InChI

InChI=1S/C19H21BrN2O3S2/c1-14(26-18-7-3-2-6-17(18)20)19(23)21-15-8-10-16(11-9-15)27(24,25)22-12-4-5-13-22/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,23)/t14-/m0/s1