methyl 2-[(2-azanyl-5-fluoranyl-phenyl)methyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(2-azanyl-5-fluoranyl-phenyl)methyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[(2-amino-5-fluoro-phenyl)methyl-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-hydroxy-propanoate CAS Name: 2-[(2-amino-5-fluorophenyl)methyl-(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-5-fluorophenyl)methyl-(4-but-2-ynoxyphenyl)sulfonylamino]-3-hydroxypropanoate Traditional Name: 2-[(2-amino-5-fluoro-benzyl)-(4-but-2-ynoxyphenyl)sulfonyl-amino]-3-hydroxy-propionic acid methyl ester Formula: C21H23FN2O6S MolecularWeight: 450.480523

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC(=C2)F)N)C(CO)C(=O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC(=C2)F)N)C(CO)C(=O)OC

InChI

InChI=1S/C21H23FN2O6S/c1-3-4-11-30-17-6-8-18(9-7-17)31(27,28)24(20(14-25)21(26)29-2)13-15-12-16(22)5-10-19(15)23/h5-10,12,20,25H,11,13-14,23H2,1-2H3