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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-[4-[(phenylmethyl)amino]piperidin-1-yl]propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[[4-(benzylamino)-1-piperidyl]methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-[4-[(phenylmethyl)amino]-1-piperidinyl]propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-[4-(benzylamino)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-[[4-(benzylamino)piperidino]methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C31H36N4O3S MolecularWeight: 544.70754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)CN2CCC(CC2)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)O)CN2CCC(CC2)NCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C31H36N4O3S/c1-34(39(37,38)31-9-5-8-26-22-32-17-14-30(26)31)28(20-24-10-12-29(36)13-11-24)23-35-18-15-27(16-19-35)33-21-25-6-3-2-4-7-25/h2-14,17,22,27-28,33,36H,15-16,18-21,23H2,1H3