4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide

Systemtic Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-4-methyl-2-(p-tolylsulfonylamino)pentanamide CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]pentanamide IUPAC Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-4-methyl-2-(tosylamino)valeramide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C

InChI

InChI=1S/C23H30N4O4S/c1-5-14-24-23(29)26-19-10-8-18(9-11-19)25-22(28)21(15-16(2)3)27-32(30,31)20-12-6-17(4)7-13-20/h5-13,16,21,27H,1,14-15H2,2-4H3,(H,25,28)(H2,24,26,29)