1-(4-acetamidophenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(4-acetamidophenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(4-acetamidophenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(4-acetamidophenyl)sulfonyl-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-acetamidophenyl)sulfonyl-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(4-acetamidophenyl)sulfonyl-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C19H28N4O4S/c1-15(24)21-16-5-7-17(8-6-16)28(26,27)23-13-9-19(10-14-23,18(20)25)22-11-3-2-4-12-22/h5-8H,2-4,9-14H2,1H3,(H2,20,25)(H,21,24)/p+1