N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: 2-piperidin-1-ium-1-yl-N-[3-(p-tolylsulfonylamino)phenyl]acetamide CAS Name: N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: 2-piperidin-1-ium-1-yl-N-[3-(tosylamino)phenyl]acetamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C20H25N3O3S/c1-16-8-10-19(11-9-16)27(25,26)22-18-7-5-6-17(14-18)21-20(24)15-23-12-3-2-4-13-23/h5-11,14,22H,2-4,12-13,15H2,1H3,(H,21,24)/p+1