3-[(4-bromophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-(brosylamino)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]propionamide Formula: C23H31BrN3O4S+ MolecularWeight: 525.47894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)[NH+]3CCCCC3

InChI

InChI=1S/C23H30BrN3O4S/c1-31-20-9-5-18(6-10-20)22(27-15-3-2-4-16-27)17-25-23(28)13-14-26-32(29,30)21-11-7-19(24)8-12-21/h5-12,22,26H,2-4,13-17H2,1H3,(H,25,28)/p+1/t22-/m0/s1