3-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(oxidanylamino)-2-oxidanylidene-ethyl]phenoxy]pyrrolidine-1-carboxylate

Systemtic Name: 3-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(oxidanylamino)-2-oxidanylidene-ethyl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: 3-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(hydroxyamino)-2-oxo-ethyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-2-(hydroxyamino)-2-oxoethyl]phenoxy]-1-pyrrolidinecarboxylate IUPAC Name: 3-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-2-(hydroxyamino)-2-oxoethyl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(hydroxyamino)-2-keto-ethyl]phenoxy]pyrrolidine-1-carboxylate Formula: C24H26N3O8S- MolecularWeight: 516.54354

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C2=CC=C(C=C2)OC3CCN(C3)C(=O)[O-])C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(C)C(C2=CC=C(C=C2)OC3CCN(C3)C(=O)[O-])C(=O)NO

InChI

InChI=1S/C24H27N3O8S/c1-3-4-15-34-18-9-11-21(12-10-18)36(32,33)26(2)22(23(28)25-31)17-5-7-19(8-6-17)35-20-13-14-27(16-20)24(29)30/h5-12,20,22,31H,13-16H2,1-2H3,(H,25,28)(H,29,30)/p-1