N-[3-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]-4-methyl-phenyl]propanamide

Systemtic Name: N-[3-[2-[(4-cyanophenyl)sulfonyl-methyl-amino]ethanoylamino]-4-methyl-phenyl]propanamide Openeye Name: N-[3-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]-4-methyl-phenyl]propanamide CAS Name: N-[3-[[2-[(4-cyanophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-4-methylphenyl]propanamide IUPAC Name: N-[3-[[2-[(4-cyanophenyl)sulfonyl-methylamino]acetyl]amino]-4-methylphenyl]propanamide Traditional Name: N-[3-[[2-[(4-cyanophenyl)sulfonyl-methyl-amino]acetyl]amino]-4-methyl-phenyl]propionamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H22N4O4S/c1-4-19(25)22-16-8-5-14(2)18(11-16)23-20(26)13-24(3)29(27,28)17-9-6-15(12-21)7-10-17/h5-11H,4,13H2,1-3H3,(H,22,25)(H,23,26)