1-[2,3-bis(azanyl)-5-butan-2-ylsulfonyl-phenyl]propan-1-one

Systemtic Name: 1-[2,3-bis(azanyl)-5-butan-2-ylsulfonyl-phenyl]propan-1-one Openeye Name: 1-(2,3-diamino-5-sec-butylsulfonyl-phenyl)propan-1-one CAS Name: 1-(2,3-diamino-5-butan-2-ylsulfonylphenyl)-1-propanone IUPAC Name: 1-(2,3-diamino-5-butan-2-ylsulfonylphenyl)propan-1-one Traditional Name: 1-(2,3-diamino-5-sec-butylsulfonyl-phenyl)propan-1-one Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3S/c1-4-8(3)19(17,18)9-6-10(12(16)5-2)13(15)11(14)7-9/h6-8H,4-5,14-15H2,1-3H3