2-[[4-[(5-methoxy-1H-indol-2-yl)carbonylamino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid

Systemtic Name: 2-[[4-[(5-methoxy-1H-indol-2-yl)carbonylamino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid Openeye Name: 2-[[4-[(5-methoxy-1H-indole-2-carbonyl)amino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid CAS Name: 2-[[4-[[(5-methoxy-1H-indol-2-yl)-oxomethyl]amino]phenyl]sulfonylamino]-6-phenoxy-4-hexynoic acid IUPAC Name: 2-[[4-[(5-methoxy-1H-indole-2-carbonyl)amino]phenyl]sulfonylamino]-6-phenoxyhex-4-ynoic acid Traditional Name: 2-[[4-[(5-methoxy-1H-indole-2-carbonyl)amino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid Formula: C28H25N3O7S MolecularWeight: 547.579

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(CC#CCOC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(CC#CCOC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H25N3O7S/c1-37-22-12-15-24-19(17-22)18-26(30-24)27(32)29-20-10-13-23(14-11-20)39(35,36)31-25(28(33)34)9-5-6-16-38-21-7-3-2-4-8-21/h2-4,7-8,10-15,17-18,25,30-31H,9,16H2,1H3,(H,29,32)(H,33,34)