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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O3S2/c1-14(26-17-8-4-15(20)5-9-17)19(23)21-16-6-10-18(11-7-16)27(24,25)22-12-2-3-13-22/h4-11,14H,2-3,12-13H2,1H3,(H,21,23)/t14-/m0/s1