N-[1-[3,4-bis(oxidanyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[1-[3,4-bis(oxidanyl)phenyl]-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(3,4-dihydroxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-(3,4-dihydroxyphenyl)-3-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-(3,4-dihydroxyphenyl)-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[2-(3,4-dihydroxyphenyl)-1-[(4-phenylpiperazino)methyl]ethyl]isoquinoline-5-sulfonamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CC(=C(C=C2)O)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC(CC2=CC(=C(C=C2)O)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O4S/c33-26-10-9-21(18-27(26)34)17-23(20-31-13-15-32(16-14-31)24-6-2-1-3-7-24)30-37(35,36)28-8-4-5-22-19-29-12-11-25(22)28/h1-12,18-19,23,30,33-34H,13-17,20H2