N-[4-(cyanomethyl)phenyl]-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[4-(cyanomethyl)phenyl]butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(cyanomethyl)phenyl]butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[4-(cyanomethyl)phenyl]butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[4-(cyanomethyl)phenyl]butyramide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)CCCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H23N3O4S/c1-16(25)18-7-11-20(12-8-18)29(27,28)24(2)15-3-4-21(26)23-19-9-5-17(6-10-19)13-14-22/h5-12H,3-4,13,15H2,1-2H3,(H,23,26)