3-[4-(3-methoxyphenyl)phenyl]-2-(phenylsulfonylamino)-2-piperazin-1-yl-propanoic acid

Systemtic Name: 3-[4-(3-methoxyphenyl)phenyl]-2-(phenylsulfonylamino)-2-piperazin-1-yl-propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[4-(3-methoxyphenyl)phenyl]-2-piperazin-1-yl-propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[4-(3-methoxyphenyl)phenyl]-2-(1-piperazinyl)propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[4-(3-methoxyphenyl)phenyl]-2-piperazin-1-ylpropanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[4-(3-methoxyphenyl)phenyl]-2-piperazino-propionic acid Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)(NS(=O)(=O)C3=CC=CC=C3)N4CCNCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)CC(C(=O)O)(NS(=O)(=O)C3=CC=CC=C3)N4CCNCC4

InChI

InChI=1S/C26H29N3O5S/c1-34-23-7-5-6-22(18-23)21-12-10-20(11-13-21)19-26(25(30)31,29-16-14-27-15-17-29)28-35(32,33)24-8-3-2-4-9-24/h2-13,18,27-28H,14-17,19H2,1H3,(H,30,31)