2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenylpiperazin-1-yl)hex-4-ynoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenylpiperazin-1-yl)hex-4-ynoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenylpiperazin-1-yl)hex-4-ynoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenyl-1-piperazinyl)-4-hexynoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenylpiperazin-1-yl)hex-4-ynoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-phenylpiperazino)hex-4-ynoic acid Formula: C29H31N3O5S MolecularWeight: 533.63854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCN(CC3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCN(CC3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H31N3O5S/c1-37-26-14-10-23(11-15-26)24-12-16-27(17-13-24)38(35,36)30-28(29(33)34)9-5-6-18-31-19-21-32(22-20-31)25-7-3-2-4-8-25/h2-4,7-8,10-17,28,30H,9,18-22H2,1H3,(H,33,34)