[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C21H29N4O3S+ MolecularWeight: 417.54496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H28N4O3S/c1-3-24(15-18-10-12-22-13-11-18)20-5-4-14-25(16-20)29(27,28)21-8-6-19(7-9-21)23-17(2)26/h6-13,20H,3-5,14-16H2,1-2H3,(H,23,26)/p+1/t20-/m0/s1