3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide

Systemtic Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide Openeye Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(6-methoxy-2,2-dimethyl-chroman-4-yl)benzamide CAS Name: 3-[(4-ethylsulfonyl-1-piperazinyl)methyl]-N-(6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)benzamide IUPAC Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide Traditional Name: 3-[(4-esylpiperazino)methyl]-N-(6-methoxy-2,2-dimethyl-chroman-4-yl)benzamide Formula: C26H35N3O5S MolecularWeight: 501.6382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3CC(OC4=C3C=C(C=C4)OC)(C)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3CC(OC4=C3C=C(C=C4)OC)(C)C

InChI

InChI=1S/C26H35N3O5S/c1-5-35(31,32)29-13-11-28(12-14-29)18-19-7-6-8-20(15-19)25(30)27-23-17-26(2,3)34-24-10-9-21(33-4)16-22(23)24/h6-10,15-16,23H,5,11-14,17-18H2,1-4H3,(H,27,30)