N-[2-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(oxidanylamino)-2-oxidanylidene-ethyl]phenoxy]ethyl]-N-methyl-carbamate

Systemtic Name: N-[2-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(oxidanylamino)-2-oxidanylidene-ethyl]phenoxy]ethyl]-N-methyl-carbamate Openeye Name: N-[2-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(hydroxyamino)-2-oxo-ethyl]phenoxy]ethyl]-N-methyl-carbamate CAS Name: N-[2-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-2-(hydroxyamino)-2-oxoethyl]phenoxy]ethyl]-N-methylcarbamate IUPAC Name: N-[2-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methylamino]-2-(hydroxyamino)-2-oxoethyl]phenoxy]ethyl]-N-methylcarbamate Traditional Name: N-[2-[4-[1-[(4-but-2-ynoxyphenyl)sulfonyl-methyl-amino]-2-(hydroxyamino)-2-keto-ethyl]phenoxy]ethyl]-N-methyl-carbamate Formula: C23H26N3O8S- MolecularWeight: 504.53284

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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)OCCN(C)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)OCCN(C)C(=O)[O-])C(=O)NO

InChI

InChI=1S/C23H27N3O8S/c1-4-5-15-33-19-10-12-20(13-11-19)35(31,32)26(3)21(22(27)24-30)17-6-8-18(9-7-17)34-16-14-25(2)23(28)29/h6-13,21,30H,14-16H2,1-3H3,(H,24,27)(H,28,29)/p-1