3-[(4-bromophenyl)sulfonylamino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-[(4-bromophenyl)sulfonylamino]propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(brosylamino)propionamide Formula: C21H27BrN3O3S+ MolecularWeight: 481.42638

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C21H26BrN3O3S/c22-18-6-8-20(9-7-18)29(27,28)23-13-10-21(26)24-19-11-14-25(15-12-19)16-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2,(H,24,26)/p+1