ethyl-[(3S)-1-(2-methoxycarbonylphenyl)sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-(2-methoxycarbonylphenyl)sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(2-methoxycarbonylphenyl)sulfonyl-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-(2-methoxycarbonylphenyl)sulfonyl-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(2-methoxycarbonylphenyl)sulfonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(2-carbomethoxyphenyl)sulfonyl-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H27N3O4S/c1-3-23(15-17-10-12-22-13-11-17)18-7-6-14-24(16-18)29(26,27)20-9-5-4-8-19(20)21(25)28-2/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3/p+1/t18-/m0/s1