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

Systemtic Name: tert-butyl N-[1-(quinolin-3-ylmethylsulfonyl)pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(3-quinolylmethylsulfonylmethyl)butyl]carbamate CAS Name: N-[1-(3-quinolinylmethylsulfonyl)pentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(quinolin-3-ylmethylsulfonyl)pentan-2-yl]carbamate Traditional Name: N-[1-(3-quinolylmethylsulfonylmethyl)butyl]carbamic acid tert-butyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S/c1-5-8-17(22-19(23)26-20(2,3)4)14-27(24,25)13-15-11-16-9-6-7-10-18(16)21-12-15/h6-7,9-12,17H,5,8,13-14H2,1-4H3,(H,22,23)