N-[(3S)-7-azanyl-2-oxidanylidene-1-sulfanyl-heptan-3-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(3S)-7-azanyl-2-oxidanylidene-1-sulfanyl-heptan-3-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-5-amino-1-(2-sulfanylacetyl)pentyl]-4-methyl-benzenesulfonamide CAS Name: N-[(3S)-7-amino-1-mercapto-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(3S)-7-amino-2-oxo-1-sulfanylheptan-3-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-5-amino-1-(2-mercaptoacetyl)pentyl]-4-methyl-benzenesulfonamide Formula: C14H22N2O3S2 MolecularWeight: 330.46608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCN)C(=O)CS

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CS

InChI

InChI=1S/C14H22N2O3S2/c1-11-5-7-12(8-6-11)21(18,19)16-13(14(17)10-20)4-2-3-9-15/h5-8,13,16,20H,2-4,9-10,15H2,1H3/t13-/m0/s1