N-[3-(4-aminophenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[3-(4-aminophenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-aminophenyl)methyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[3-(4-aminophenyl)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-(4-aminophenyl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(4-aminobenzyl)-2-keto-2-(4-phenylpiperazino)ethyl]isoquinoline-5-sulfonamide Formula: C28H29N5O3S MolecularWeight: 515.62656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)N)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CC3=CC=C(C=C3)N)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C28H29N5O3S/c29-23-11-9-21(10-12-23)19-26(28(34)33-17-15-32(16-18-33)24-6-2-1-3-7-24)31-37(35,36)27-8-4-5-22-20-30-14-13-25(22)27/h1-14,20,26,31H,15-19,29H2