(5Z,8E,10E)-2-(4-methylphenyl)sulfonyl-8-(phenylmethoxymethyl)-3,4,4a,7-tetrahydro-1H-cycloocta[c]pyridine

Systemtic Name: (5Z,8E,10E)-2-(4-methylphenyl)sulfonyl-8-(phenylmethoxymethyl)-3,4,4a,7-tetrahydro-1H-cycloocta[c]pyridine Openeye Name: (5Z,8E,10E)-8-(benzyloxymethyl)-2-(p-tolylsulfonyl)-3,4,4a,7-tetrahydro-1H-cycloocta[c]pyridine CAS Name: (5Z,8E,10E)-2-(4-methylphenyl)sulfonyl-8-(phenylmethoxymethyl)-3,4,4a,7-tetrahydro-1H-cycloocta[c]pyridine IUPAC Name: (5Z,8E,10E)-2-(4-methylphenyl)sulfonyl-8-(phenylmethoxymethyl)-3,4,4a,7-tetrahydro-1H-cycloocta[c]pyridine Traditional Name: (5Z,8E,10E)-8-(benzoxymethyl)-2-tosyl-3,4,4a,7-tetrahydro-1H-cycloocta[c]pyridine Formula: C26H29NO3S MolecularWeight: 435.57836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3C=CCC(=CC=C3C2)COCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC\3/C=C\C/C(=C\C=C3\C2)/COCC4=CC=CC=C4

InChI

InChI=1S/C26H29NO3S/c1-21-10-14-26(15-11-21)31(28,29)27-17-16-24-9-5-8-23(12-13-25(24)18-27)20-30-19-22-6-3-2-4-7-22/h2-7,9-15,24H,8,16-20H2,1H3/b9-5-,23-12+,25-13-