2-[[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid

Systemtic Name: 2-[[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid Openeye Name: 2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid CAS Name: 2-[[4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-phenoxy-4-hexynoic acid IUPAC Name: 2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-6-phenoxyhex-4-ynoic acid Traditional Name: 2-[[4-(p-anisoylamino)phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid Formula: C26H24N2O7S MolecularWeight: 508.54296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CCOC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CCOC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H24N2O7S/c1-34-21-14-10-19(11-15-21)25(29)27-20-12-16-23(17-13-20)36(32,33)28-24(26(30)31)9-5-6-18-35-22-7-3-2-4-8-22/h2-4,7-8,10-17,24,28H,9,18H2,1H3,(H,27,29)(H,30,31)