tert-butyl N-[1-propan-2-yloxy-3-(quinolin-3-ylmethylsulfonyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-propan-2-yloxy-3-(quinolin-3-ylmethylsulfonyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(isopropoxymethyl)-2-(3-quinolylmethylsulfonyl)ethyl]carbamate CAS Name: N-[1-propan-2-yloxy-3-(3-quinolinylmethylsulfonyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-propan-2-yloxy-3-(quinolin-3-ylmethylsulfonyl)propan-2-yl]carbamate Traditional Name: N-[1-(isopropoxymethyl)-2-(3-quinolylmethylsulfonyl)ethyl]carbamic acid tert-butyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CS(=O)(=O)CC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)OCC(CS(=O)(=O)CC1=CC2=CC=CC=C2N=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N2O5S/c1-15(2)27-12-18(23-20(24)28-21(3,4)5)14-29(25,26)13-16-10-17-8-6-7-9-19(17)22-11-16/h6-11,15,18H,12-14H2,1-5H3,(H,23,24)