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

Systemtic Name: N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-[4-(3-chlorophenyl)-1-piperazinyl]-3-(4-hydroxyphenyl)propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-[[4-(3-chlorophenyl)piperazino]methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C29H31ClN4O3S MolecularWeight: 551.09944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN4O3S/c1-32(38(36,37)29-7-2-4-23-20-31-13-12-28(23)29)26(18-22-8-10-27(35)11-9-22)21-33-14-16-34(17-15-33)25-6-3-5-24(30)19-25/h2-13,19-20,26,35H,14-18,21H2,1H3