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

Systemtic Name: N-methyl-N-[3-(4-nitrophenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-methyl-N-[1-[(4-nitrophenyl)methyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[3-(4-nitrophenyl)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-methyl-N-[3-(4-nitrophenyl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-1-(4-nitrobenzyl)-2-(4-phenylpiperazino)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C29H29N5O5S MolecularWeight: 559.63606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C29H29N5O5S/c1-31(40(38,39)28-9-5-6-23-21-30-15-14-26(23)28)27(20-22-10-12-25(13-11-22)34(36)37)29(35)33-18-16-32(17-19-33)24-7-3-2-4-8-24/h2-15,21,27H,16-20H2,1H3