N-[2-[[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]amino]-2-oxidanylidene-ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxo-hexyl]amino]-2-oxo-ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxohexyl]amino]-2-oxoethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxohexyl]amino]-2-oxoethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-[[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-keto-hexyl]amino]-2-keto-ethyl]-9H-xanthene-9-carboxamide Formula: C32H33N3O7S MolecularWeight: 603.68532

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCNC(=O)CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)C(CCCCNC(=O)CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)NO

InChI

InChI=1S/C32H33N3O7S/c1-2-3-20-41-22-15-17-23(18-16-22)43(40)28(31(37)35-39)14-8-9-19-33-29(36)21-34-32(38)30-24-10-4-6-12-26(24)42-27-13-7-5-11-25(27)30/h4-7,10-13,15-18,28,30,39H,8-9,14,19-21H2,1H3,(H,33,36)(H,34,38)(H,35,37)