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

Systemtic Name: ethyl-[(3S)-1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(4-methylsulfonylphenyl)sulfonyl-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-(4-methylsulfonylphenyl)sulfonyl-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(3S)-1-(4-mesylphenyl)sulfonyl-3-piperidyl]-(4-pyridylmethyl)ammonium Formula: C20H28N3O4S2+ MolecularWeight: 438.58402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S2/c1-3-22(15-17-10-12-21-13-11-17)18-5-4-14-23(16-18)29(26,27)20-8-6-19(7-9-20)28(2,24)25/h6-13,18H,3-5,14-16H2,1-2H3/p+1/t18-/m0/s1