N-[3-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[[2-[methyl(tosyl)amino]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NCC2=CC(=CC=C2)NC(=O)C3CC3

InChI

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