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

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

Systemtic Name:N-[(4-dimethylaminophenyl)methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Openeye Name:N-[(4-dimethylaminophenyl)methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CAS Name:N-[(4-dimethylaminophenyl)methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
IUPAC Name:N-[(4-dimethylaminophenyl)methyl]-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Traditional Name:N-[4-(dimethylamino)benzyl]-2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Formula: C21H27N3O3S
MolecularWeight: 401.52238
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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)N(C)C


Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)N(C)C


InChI

InChI=1S/C21H27N3O3S/c1-4-28(26,27)24-15-18-8-6-5-7-17(18)13-20(24)21(25)22-14-16-9-11-19(12-10-16)23(2)3/h5-12,20H,4,13-15H2,1-3H3,(H,22,25)


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