ethyl 4-[2-(quinolin-3-ylmethylsulfonyl)ethyl]benzoate

Systemtic Name: ethyl 4-[2-(quinolin-3-ylmethylsulfonyl)ethyl]benzoate Openeye Name: ethyl 4-[2-(3-quinolylmethylsulfonyl)ethyl]benzoate CAS Name: 4-[2-(3-quinolinylmethylsulfonyl)ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(quinolin-3-ylmethylsulfonyl)ethyl]benzoate Traditional Name: 4-[2-(3-quinolylmethylsulfonyl)ethyl]benzoic acid ethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCS(=O)(=O)CC2=CC3=CC=CC=C3N=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCS(=O)(=O)CC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H21NO4S/c1-2-26-21(23)18-9-7-16(8-10-18)11-12-27(24,25)15-17-13-19-5-3-4-6-20(19)22-14-17/h3-10,13-14H,2,11-12,15H2,1H3