2-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]benzamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-20-12-13-21(2)26(18-20)34(32,33)29-25-11-7-6-10-24(25)27(31)28-23-14-16-30(17-15-23)19-22-8-4-3-5-9-22/h3-13,18,23,29H,14-17,19H2,1-2H3,(H,28,31)/p+1