3-[(4-bromophenyl)sulfonylamino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propanamide Traditional Name: 3-(brosylamino)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]propionamide Formula: C17H25BrN2O3S MolecularWeight: 417.361

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H25BrN2O3S/c1-12-4-3-5-16(13(12)2)20-17(21)10-11-19-24(22,23)15-8-6-14(18)7-9-15/h6-9,12-13,16,19H,3-5,10-11H2,1-2H3,(H,20,21)/t12-,13+,16+/m0/s1