2-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-methyl-N-(o-tolylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-methyl-N-(2-methylbenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC=CC=C3C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=CC=CC=C3C

InChI

InChI=1S/C21H26N2O3S/c1-4-27(25,26)23-15-19-12-8-7-10-17(19)13-20(23)21(24)22(3)14-18-11-6-5-9-16(18)2/h5-12,20H,4,13-15H2,1-3H3