(2R)-N-(3-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-bromophenyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-bromophenyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propionamide Formula: C18H23BrN3O3S2+ MolecularWeight: 473.42752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22BrN3O3S2/c1-13(18(23)20-16-5-2-4-14(19)12-16)22-9-7-15(8-10-22)21-27(24,25)17-6-3-11-26-17/h2-6,11-13,15,21H,7-10H2,1H3,(H,20,23)/p+1/t13-/m1/s1