methyl 6-methoxy-2-[[4-(pyrrolidin-1-ylcarbonylamino)phenyl]sulfonylamino]hex-4-ynoate

Systemtic Name: methyl 6-methoxy-2-[[4-(pyrrolidin-1-ylcarbonylamino)phenyl]sulfonylamino]hex-4-ynoate Openeye Name: methyl 6-methoxy-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]hex-4-ynoate CAS Name: 6-methoxy-2-[[4-[[oxo(1-pyrrolidinyl)methyl]amino]phenyl]sulfonylamino]-4-hexynoic acid methyl ester IUPAC Name: methyl 6-methoxy-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]hex-4-ynoate Traditional Name: 6-methoxy-2-[[4-(pyrrolidine-1-carbonylamino)phenyl]sulfonylamino]hex-4-ynoic acid methyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S/c1-27-14-6-3-7-17(18(23)28-2)21-29(25,26)16-10-8-15(9-11-16)20-19(24)22-12-4-5-13-22/h8-11,17,21H,4-5,7,12-14H2,1-2H3,(H,20,24)