2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-1-(4-methylphenyl)sulfonyl-indazol-3-one

Systemtic Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-1-(4-methylphenyl)sulfonyl-indazol-3-one Openeye Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-1-(p-tolylsulfonyl)indazol-3-one CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-methoxy-1-(4-methylphenyl)sulfonyl-3-indazolone IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-methoxy-1-(4-methylphenyl)sulfonylindazol-3-one Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]propyl]-5-methoxy-1-tosyl-indazolin-3-one Formula: C28H31ClN4O4S MolecularWeight: 555.08814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC)C(=O)N2CCCN4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)OC)C(=O)N2CCCN4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H31ClN4O4S/c1-21-7-10-25(11-8-21)38(35,36)33-27-12-9-24(37-2)20-26(27)28(34)32(33)14-4-13-30-15-17-31(18-16-30)23-6-3-5-22(29)19-23/h3,5-12,19-20H,4,13-18H2,1-2H3