(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]butanamide

Systemtic Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]butanamide Openeye Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]butanamide CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[3-(2-oxo-1-azepanyl)propyl]butanamide IUPAC Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]butanamide Traditional Name: (2S)-2-(brosylamino)-N-[3-(2-ketoazepan-1-yl)propyl]-3-methyl-butyramide Formula: C20H30BrN3O4S MolecularWeight: 488.4389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCCN1CCCCCC1=O)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCCN1CCCCCC1=O)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H30BrN3O4S/c1-15(2)19(23-29(27,28)17-10-8-16(21)9-11-17)20(26)22-12-6-14-24-13-5-3-4-7-18(24)25/h8-11,15,19,23H,3-7,12-14H2,1-2H3,(H,22,26)/t19-/m0/s1