tert-butyl 4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2,2-dimethylchroman-6-yl)sulfonylpiperazine-1-carboxylate CAS Name: 4-[(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-(2,2-dimethylchroman-6-yl)sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CCC2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C20H30N2O5S/c1-19(2,3)27-18(23)21-10-12-22(13-11-21)28(24,25)16-6-7-17-15(14-16)8-9-20(4,5)26-17/h6-7,14H,8-13H2,1-5H3