N-[3-(imidazol-1-ylmethyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide

Systemtic Name: N-[3-(imidazol-1-ylmethyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanamide Openeye Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanamide CAS Name: N-[3-(1-imidazolylmethyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)butanamide IUPAC Name: N-[3-(imidazol-1-ylmethyl)phenyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide Traditional Name: N-[3-(imidazol-1-ylmethyl)phenyl]-4-(methylthio)-2-(tosylamino)butyramide Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC=CC(=C2)CN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC=CC(=C2)CN3C=CN=C3

InChI

InChI=1S/C22H26N4O3S2/c1-17-6-8-20(9-7-17)31(28,29)25-21(10-13-30-2)22(27)24-19-5-3-4-18(14-19)15-26-12-11-23-16-26/h3-9,11-12,14,16,21,25H,10,13,15H2,1-2H3,(H,24,27)