(2S)-N-(3-bromophenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide

Systemtic Name: (2S)-N-(3-bromophenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide Openeye Name: (2S)-N-(3-bromophenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide CAS Name: (2S)-N-(3-bromophenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide IUPAC Name: (2S)-N-(3-bromophenyl)-2-(4-methylsulfonyl-1,4-diazepan-1-yl)propanamide Traditional Name: (2S)-N-(3-bromophenyl)-2-(4-mesyl-1,4-diazepan-1-yl)propionamide Formula: C15H22BrN3O3S MolecularWeight: 404.32248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Br)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H22BrN3O3S/c1-12(15(20)17-14-6-3-5-13(16)11-14)18-7-4-8-19(10-9-18)23(2,21)22/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,17,20)/t12-/m0/s1