2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ethanamide

Systemtic Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ethanamide Openeye Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H32N4O4S/c1-16-9-13-24(14-10-16)12-4-11-21-20(26)15-23(3)29(27,28)19-7-5-18(6-8-19)22-17(2)25/h5-8,16H,4,9-15H2,1-3H3,(H,21,26)(H,22,25)/p+1