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

Systemtic Name: 2-ethylsulfonyl-N-[(4-piperidin-1-ylcarbonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[4-(piperidine-1-carbonyl)benzyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCCC4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-2-33(31,32)28-18-22-9-5-4-8-21(22)16-23(28)24(29)26-17-19-10-12-20(13-11-19)25(30)27-14-6-3-7-15-27/h4-5,8-13,23H,2-3,6-7,14-18H2,1H3,(H,26,29)