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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-[4-(2-methoxyphenyl)piperazino]ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)C3=CC=CC=C3OC)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C30H34N4O4S/c1-32(39(36,37)30-9-5-6-24-21-31-15-14-27(24)30)25(20-23-10-12-26(35)13-11-23)22-33-16-18-34(19-17-33)28-7-3-4-8-29(28)38-2/h3-15,21,25,35H,16-20,22H2,1-2H3