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

Systemtic Name: 1-[3,4-bis(azanyl)-5-pentan-2-ylsulfonyl-phenyl]-2-methyl-heptan-1-one Openeye Name: 1-[3,4-diamino-5-(1-methylbutylsulfonyl)phenyl]-2-methyl-heptan-1-one CAS Name: 1-(3,4-diamino-5-pentan-2-ylsulfonylphenyl)-2-methyl-1-heptanone IUPAC Name: 1-(3,4-diamino-5-pentan-2-ylsulfonylphenyl)-2-methylheptan-1-one Traditional Name: 1-[3,4-diamino-5-(1-methylbutylsulfonyl)phenyl]-2-methyl-heptan-1-one Formula: C19H32N2O3S MolecularWeight: 368.53398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3S/c1-5-7-8-10-13(3)19(22)15-11-16(20)18(21)17(12-15)25(23,24)14(4)9-6-2/h11-14H,5-10,20-21H2,1-4H3