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

Systemtic Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]-9H-xanthene-9-carboxamide Openeye Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxo-hexyl]-9H-xanthene-9-carboxamide CAS Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxohexyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-oxohexyl]-9H-xanthene-9-carboxamide Traditional Name: N-[5-(4-but-2-ynoxyphenyl)sulfinyl-6-(hydroxyamino)-6-keto-hexyl]-9H-xanthene-9-carboxamide Formula: C30H30N2O6S MolecularWeight: 546.634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O6S/c1-2-3-20-37-21-15-17-22(18-16-21)39(36)27(29(33)32-35)14-8-9-19-31-30(34)28-23-10-4-6-12-25(23)38-26-13-7-5-11-24(26)28/h4-7,10-13,15-18,27-28,35H,8-9,14,19-20H2,1H3,(H,31,34)(H,32,33)