4-(3-azanylpropylsulfonylamino)-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: 4-(3-azanylpropylsulfonylamino)-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: 4-(3-aminopropylsulfonylamino)-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-naphthalene-2-carboxamide CAS Name: 4-(3-aminopropylsulfonylamino)-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxy-2-naphthalenecarboxamide IUPAC Name: 4-(3-aminopropylsulfonylamino)-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide Traditional Name: 4-(3-aminopropylsulfonylamino)-N-[4-(2,4-ditert-amylphenoxy)butyl]-1-hydroxy-2-naphthamide Formula: C34H49N3O5S MolecularWeight: 611.83496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)CCCN)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)CCCN)O)C(C)(C)CC

InChI

InChI=1S/C34H49N3O5S/c1-7-33(3,4)24-16-17-30(28(22-24)34(5,6)8-2)42-20-12-11-19-36-32(39)27-23-29(37-43(40,41)21-13-18-35)25-14-9-10-15-26(25)31(27)38/h9-10,14-17,22-23,37-38H,7-8,11-13,18-21,35H2,1-6H3,(H,36,39)