tert-butyl N-[[1-(3-cyanophenyl)sulfonylpiperidin-3-yl]methyl]-N-propan-2-yl-carbamate

Systemtic Name: tert-butyl N-[[1-(3-cyanophenyl)sulfonylpiperidin-3-yl]methyl]-N-propan-2-yl-carbamate Openeye Name: tert-butyl N-[[1-(3-cyanophenyl)sulfonyl-3-piperidyl]methyl]-N-isopropyl-carbamate CAS Name: N-[[1-(3-cyanophenyl)sulfonyl-3-piperidinyl]methyl]-N-propan-2-ylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[1-(3-cyanophenyl)sulfonylpiperidin-3-yl]methyl]-N-propan-2-ylcarbamate Traditional Name: N-[[1-(3-cyanophenyl)sulfonyl-3-piperidyl]methyl]-N-isopropyl-carbamic acid tert-butyl ester Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(CC1CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4S/c1-16(2)24(20(25)28-21(3,4)5)15-18-9-7-11-23(14-18)29(26,27)19-10-6-8-17(12-19)13-22/h6,8,10,12,16,18H,7,9,11,14-15H2,1-5H3