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

Systemtic Name: N-[1-(4-aminophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-aminophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-aminophenyl)-3-[4-(4-methoxyphenyl)-1-piperazinyl]propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-aminophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-(4-aminobenzyl)-2-[4-(4-methoxyphenyl)piperazino]ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C30H35N5O3S MolecularWeight: 545.6956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N5O3S/c1-33(39(36,37)30-5-3-4-24-21-32-15-14-29(24)30)27(20-23-6-8-25(31)9-7-23)22-34-16-18-35(19-17-34)26-10-12-28(38-2)13-11-26/h3-15,21,27H,16-20,22,31H2,1-2H3