1-[3,4-bis(azanyl)-5-(2-methylpropylsulfonyl)phenyl]-3-ethyl-hexan-1-one

Systemtic Name: 1-[3,4-bis(azanyl)-5-(2-methylpropylsulfonyl)phenyl]-3-ethyl-hexan-1-one Openeye Name: 1-(3,4-diamino-5-isobutylsulfonyl-phenyl)-3-ethyl-hexan-1-one CAS Name: 1-[3,4-diamino-5-(2-methylpropylsulfonyl)phenyl]-3-ethyl-1-hexanone IUPAC Name: 1-[3,4-diamino-5-(2-methylpropylsulfonyl)phenyl]-3-ethylhexan-1-one Traditional Name: 1-(3,4-diamino-5-isobutylsulfonyl-phenyl)-3-ethyl-hexan-1-one Formula: C18H30N2O3S MolecularWeight: 354.5074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O3S/c1-5-7-13(6-2)8-16(21)14-9-15(19)18(20)17(10-14)24(22,23)11-12(3)4/h9-10,12-13H,5-8,11,19-20H2,1-4H3