N-[3-[[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[[2-(2-methyl-N-methylsulfonyl-anilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[2-(2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[[2-(N-mesyl-2-methyl-anilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-15-6-3-4-9-19(15)24(29(2,27)28)14-20(25)22-13-16-7-5-8-18(12-16)23-21(26)17-10-11-17/h3-9,12,17H,10-11,13-14H2,1-2H3,(H,22,25)(H,23,26)