1-[3,4-bis(azanyl)-5-cyclopropylsulfonyl-phenyl]-3-ethyl-2-methyl-pentan-1-one

Systemtic Name: 1-[3,4-bis(azanyl)-5-cyclopropylsulfonyl-phenyl]-3-ethyl-2-methyl-pentan-1-one Openeye Name: 1-(3,4-diamino-5-cyclopropylsulfonyl-phenyl)-3-ethyl-2-methyl-pentan-1-one CAS Name: 1-(3,4-diamino-5-cyclopropylsulfonylphenyl)-3-ethyl-2-methyl-1-pentanone IUPAC Name: 1-(3,4-diamino-5-cyclopropylsulfonylphenyl)-3-ethyl-2-methylpentan-1-one Traditional Name: 1-(3,4-diamino-5-cyclopropylsulfonyl-phenyl)-3-ethyl-2-methyl-pentan-1-one Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C)C(=O)C1=CC(=C(C(=C1)S(=O)(=O)C2CC2)N)N

Isomeric SMILES

CCC(CC)C(C)C(=O)C1=CC(=C(C(=C1)S(=O)(=O)C2CC2)N)N

InChI

InChI=1S/C17H26N2O3S/c1-4-11(5-2)10(3)17(20)12-8-14(18)16(19)15(9-12)23(21,22)13-6-7-13/h8-11,13H,4-7,18-19H2,1-3H3