ethyl 2-[[(1R,2R)-2-hex-1-ynylcyclopentyl]-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[(1R,2R)-2-hex-1-ynylcyclopentyl]-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[(1R,2R)-2-hex-1-ynylcyclopentyl]-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[[(1R,2R)-2-hex-1-ynylcyclopentyl]-(4-methylphenyl)sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(1R,2R)-2-hex-1-ynylcyclopentyl]-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[[(1R,2R)-2-hex-1-ynylcyclopentyl]-tosyl-amino]acetic acid ethyl ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1CCCC1N(CC(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC#C[C@H]1CCC[C@H]1N(CC(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H31NO4S/c1-4-6-7-8-10-19-11-9-12-21(19)23(17-22(24)27-5-2)28(25,26)20-15-13-18(3)14-16-20/h13-16,19,21H,4-7,9,11-12,17H2,1-3H3/t19-,21+/m0/s1