2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetamide CAS Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetamide Formula: C21H27ClN3O3S+ MolecularWeight: 436.97538

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CC(=O)NC1CC[NH+](CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O3S/c1-24(29(27,28)20-9-7-18(22)8-10-20)16-21(26)23-19-11-13-25(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,26)/p+1