1-[2,2-dimethyl-7-(phenylsulfonyl)-3,4-dihydrochromen-4-yl]piperazine

Systemtic Name: 1-[2,2-dimethyl-7-(phenylsulfonyl)-3,4-dihydrochromen-4-yl]piperazine Openeye Name: 1-[7-(benzenesulfonyl)-2,2-dimethyl-chroman-4-yl]piperazine CAS Name: 1-[7-(benzenesulfonyl)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]piperazine IUPAC Name: 1-[7-(benzenesulfonyl)-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperazine Traditional Name: 1-(7-besyl-2,2-dimethyl-chroman-4-yl)piperazine Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)N4CCNCC4)C

Isomeric SMILES

CC1(CC(C2=C(O1)C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)N4CCNCC4)C

InChI

InChI=1S/C21H26N2O3S/c1-21(2)15-19(23-12-10-22-11-13-23)18-9-8-17(14-20(18)26-21)27(24,25)16-6-4-3-5-7-16/h3-9,14,19,22H,10-13,15H2,1-2H3