N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(isochroman-1-ylmethyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(isochroman-1-ylmethyl)-1-tosyl-isonipecotamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3C4=CC=CC=C4CCO3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3C4=CC=CC=C4CCO3

InChI

InChI=1S/C23H28N2O4S/c1-17-6-8-20(9-7-17)30(27,28)25-13-10-19(11-14-25)23(26)24-16-22-21-5-3-2-4-18(21)12-15-29-22/h2-9,19,22H,10-16H2,1H3,(H,24,26)