2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-6-pyrrolidin-1-yl-hex-4-ynoic acid

Systemtic Name: 2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-6-pyrrolidin-1-yl-hex-4-ynoic acid Openeye Name: 2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-6-pyrrolidin-1-yl-hex-4-ynoic acid CAS Name: 2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-6-(1-pyrrolidinyl)-4-hexynoic acid IUPAC Name: 2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-6-pyrrolidin-1-ylhex-4-ynoic acid Traditional Name: 2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-6-pyrrolidino-hex-4-ynoic acid Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O5S/c31-28(32)27(10-4-5-19-30-20-6-7-21-30)29-36(33,34)26-17-13-23(14-18-26)22-11-15-25(16-12-22)35-24-8-2-1-3-9-24/h1-3,8-9,11-18,27,29H,6-7,10,19-21H2,(H,31,32)