N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C=CC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)/C=C/C2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H35N3O3S/c1-27(2,29-16-12-23-10-6-7-11-25(23)20-29)21-28-26(31)24-13-17-30(18-14-24)34(32,33)19-15-22-8-4-3-5-9-22/h3-11,15,19,24H,12-14,16-18,20-21H2,1-2H3,(H,28,31)/b19-15+