5-azanyl-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-oxidanyl-naphthalene-2-sulfonamide hydrochloride

Systemtic Name: 5-azanyl-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-oxidanyl-naphthalene-2-sulfonamide hydrochloride Openeye Name: 5-amino-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-6-hydroxy-naphthalene-2-sulfonamide hydrochloride CAS Name: 5-amino-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-hydroxy-2-naphthalenesulfonamide hydrochloride IUPAC Name: 5-amino-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-hydroxynaphthalene-2-sulfonamide hydrochloride Traditional Name: 5-amino-N-[4-(2,4-ditert-amylphenoxy)butyl]-6-hydroxy-naphthalene-2-sulfonamide hydrochloride Formula: C30H43ClN2O4S MolecularWeight: 563.19142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNS(=O)(=O)C2=CC3=C(C=C2)C(=C(C=C3)O)N)C(C)(C)CC.Cl

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNS(=O)(=O)C2=CC3=C(C=C2)C(=C(C=C3)O)N)C(C)(C)CC.Cl

InChI

InChI=1S/C30H42N2O4S.ClH/c1-7-29(3,4)22-12-16-27(25(20-22)30(5,6)8-2)36-18-10-9-17-32-37(34,35)23-13-14-24-21(19-23)11-15-26(33)28(24)31;/h11-16,19-20,32-33H,7-10,17-18,31H2,1-6H3;1H