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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CCC(C(=O)O)(N)S(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

COCC#CCC(C(=O)O)(N)S(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H22N2O7S/c1-29-14-6-5-13-21(22,20(25)26)31(27,28)18-8-4-3-7-17(18)23-19(24)15-9-11-16(30-2)12-10-15/h3-4,7-12H,13-14,22H2,1-2H3,(H,23,24)(H,25,26)