1-[3,4-bis(azanyl)-5-tert-butylsulfonyl-phenyl]hexan-1-one

Systemtic Name: 1-[3,4-bis(azanyl)-5-tert-butylsulfonyl-phenyl]hexan-1-one Openeye Name: 1-(3,4-diamino-5-tert-butylsulfonyl-phenyl)hexan-1-one CAS Name: 1-(3,4-diamino-5-tert-butylsulfonylphenyl)-1-hexanone IUPAC Name: 1-(3,4-diamino-5-tert-butylsulfonylphenyl)hexan-1-one Traditional Name: 1-(3,4-diamino-5-tert-butylsulfonyl-phenyl)hexan-1-one Formula: C16H26N2O3S MolecularWeight: 326.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC(=C(C(=C1)S(=O)(=O)C(C)(C)C)N)N

Isomeric SMILES

CCCCCC(=O)C1=CC(=C(C(=C1)S(=O)(=O)C(C)(C)C)N)N

InChI

InChI=1S/C16H26N2O3S/c1-5-6-7-8-13(19)11-9-12(17)15(18)14(10-11)22(20,21)16(2,3)4/h9-10H,5-8,17-18H2,1-4H3