N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-thienylsulfonylamino)benzenecarboximidate CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(thiophen-2-ylsulfonylamino)benzenecarboximidate Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-thienylsulfonylamino)benzenecarboximidate Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N=C(C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N=C(C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3S2/c27-23(24-19-12-14-26(15-13-19)17-18-7-2-1-3-8-18)20-9-4-5-10-21(20)25-31(28,29)22-11-6-16-30-22/h1-11,16,19,25H,12-15,17H2,(H,24,27)