(2S)-N-(2-methylsulfanylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide

Systemtic Name: (2S)-N-(2-methylsulfanylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide Openeye Name: (2S)-N-(2-methylsulfanylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide CAS Name: (2S)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)-N-[2-(methylthio)phenyl]propanamide IUPAC Name: (2S)-N-(2-methylsulfanylphenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide Traditional Name: (2S)-2-(4-mesyl-1,4-diazepan-1-yl)-N-[2-(methylthio)phenyl]propionamide Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H25N3O3S2/c1-13(16(20)17-14-7-4-5-8-15(14)23-2)18-9-6-10-19(12-11-18)24(3,21)22/h4-5,7-8,13H,6,9-12H2,1-3H3,(H,17,20)/t13-/m0/s1