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

Systemtic Name: 6-methoxy-2-[[4-[(4-methoxyphenyl)carbonylamino]phenyl]sulfonylamino]hex-4-ynoic acid Openeye Name: 6-methoxy-2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]hex-4-ynoic acid CAS Name: 6-methoxy-2-[[4-[[(4-methoxyphenyl)-oxomethyl]amino]phenyl]sulfonylamino]-4-hexynoic acid IUPAC Name: 6-methoxy-2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]hex-4-ynoic acid Traditional Name: 6-methoxy-2-[[4-(p-anisoylamino)phenyl]sulfonylamino]hex-4-ynoic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

COCC#CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H22N2O7S/c1-29-14-4-3-5-19(21(25)26)23-31(27,28)18-12-8-16(9-13-18)22-20(24)15-6-10-17(30-2)11-7-15/h6-13,19,23H,5,14H2,1-2H3,(H,22,24)(H,25,26)