2-[4-methyl-4-(phenylsulfonyl)pentyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline

Systemtic Name: 2-[4-methyl-4-(phenylsulfonyl)pentyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline Openeye Name: 2-[4-(benzenesulfonyl)-4-methyl-pentyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline CAS Name: 2-[4-(benzenesulfonyl)-4-methylpentyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline IUPAC Name: 2-[4-(benzenesulfonyl)-4-methylpentyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline Traditional Name: 2-(4-besyl-4-methyl-pentyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline Formula: C21H31NO2S MolecularWeight: 361.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCN1CCC2=C(C1)CCCC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(CCCN1CCC2=C(C1)CCCC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H31NO2S/c1-21(2,25(23,24)20-11-4-3-5-12-20)14-8-15-22-16-13-18-9-6-7-10-19(18)17-22/h3-5,11-12H,6-10,13-17H2,1-2H3