N-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-propyl-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-N-propyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-N-propyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-propylisoquinoline-5-sulfonamide Traditional Name: N-[2-[3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-N-propyl-isoquinoline-5-sulfonamide Formula: C31H32N4O5S MolecularWeight: 572.67458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CCCN(CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C31H32N4O5S/c1-4-18-34(41(37,38)30-7-5-6-24-20-32-17-16-27(24)30)21-31(36)35-29(23-10-14-26(40-3)15-11-23)19-28(33-35)22-8-12-25(39-2)13-9-22/h5-17,20,29H,4,18-19,21H2,1-3H3