(2S)-2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide

Systemtic Name: (2S)-2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)propanamide Openeye Name: (2S)-2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholinosulfonyl-phenyl)propanamide CAS Name: (2S)-2-[(4-bromophenyl)thio]-N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-bromophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide Traditional Name: (2S)-2-[(4-bromophenyl)thio]-N-(4-methyl-3-morpholinosulfonyl-phenyl)propionamide Formula: C20H23BrN2O4S2 MolecularWeight: 499.44162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)SC2=CC=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H23BrN2O4S2/c1-14-3-6-17(13-19(14)29(25,26)23-9-11-27-12-10-23)22-20(24)15(2)28-18-7-4-16(21)5-8-18/h3-8,13,15H,9-12H2,1-2H3,(H,22,24)/t15-/m0/s1