N-[1-(4-hydroxyphenyl)-3-(4-phenylpiperidin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-(4-phenylpiperidin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-(4-phenyl-1-piperidyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-(4-phenyl-1-piperidinyl)propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-(4-phenylpiperidin-1-yl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-(4-phenylpiperidino)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C30H33N3O3S MolecularWeight: 515.66632

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)CN2CCC(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)O)CN2CCC(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C30H33N3O3S/c1-32(37(35,36)30-9-5-8-26-21-31-17-14-29(26)30)27(20-23-10-12-28(34)13-11-23)22-33-18-15-25(16-19-33)24-6-3-2-4-7-24/h2-14,17,21,25,27,34H,15-16,18-20,22H2,1H3