N-(3-cyclopentyloxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(3-cyclopentyloxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[3-(cyclopentoxy)phenyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(3-cyclopentyloxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(3-cyclopentyloxyphenyl)-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[3-(cyclopentoxy)phenyl]-2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=CC=C3)OC4CCCC4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC(=CC=C3)OC4CCCC4

InChI

InChI=1S/C22H26N2O4S/c1-29(26,27)24-15-17-8-3-2-7-16(17)13-21(24)22(25)23-18-9-6-12-20(14-18)28-19-10-4-5-11-19/h2-3,6-9,12,14,19,21H,4-5,10-11,13,15H2,1H3,(H,23,25)