6-methoxy-2-[[4-(pyrrolidin-1-ylcarbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid

Systemtic Name: 6-methoxy-2-[[4-(pyrrolidin-1-ylcarbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid Openeye Name: 6-methoxy-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid CAS Name: 6-methoxy-2-[[4-[[oxo(1-pyrrolidinyl)methyl]amino]phenyl]sulfonylamino]-4-hexynoic acid IUPAC Name: 6-methoxy-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid Traditional Name: 6-methoxy-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid Formula: C18H23N3O6S MolecularWeight: 409.45672

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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)N2CCCC2

Isomeric SMILES

COCC#CCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)N2CCCC2

InChI

InChI=1S/C18H23N3O6S/c1-27-13-5-2-6-16(17(22)23)20-28(25,26)15-9-7-14(8-10-15)19-18(24)21-11-3-4-12-21/h7-10,16,20H,3-4,6,11-13H2,1H3,(H,19,24)(H,22,23)