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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-[2-(phenylsulfonyl)piperazin-1-yl]propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[[2-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-[2-(benzenesulfonyl)-1-piperazinyl]-3-(4-hydroxyphenyl)propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-[2-(benzenesulfonyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-[(2-besylpiperazino)methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C29H32N4O5S2 MolecularWeight: 580.71818

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)CN2CCNCC2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)O)CN2CCNCC2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C29H32N4O5S2/c1-32(40(37,38)28-9-5-6-23-19-30-15-14-27(23)28)24(18-22-10-12-25(34)13-11-22)21-33-17-16-31-20-29(33)39(35,36)26-7-3-2-4-8-26/h2-15,19,24,29,31,34H,16-18,20-21H2,1H3