N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanamide

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-[(4-ethanoylphenyl)sulfonyl-methyl-amino]butanamide Openeye Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]butanamide CAS Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]butanamide IUPAC Name: 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]butanamide Traditional Name: 4-[(4-acetylphenyl)sulfonyl-methyl-amino]-N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]butyramide Formula: C26H32N4O4S MolecularWeight: 496.62168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)CCCN(C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C26H32N4O4S/c1-19-25(20(2)30(28-19)18-22-9-6-5-7-10-22)17-27-26(32)11-8-16-29(4)35(33,34)24-14-12-23(13-15-24)21(3)31/h5-7,9-10,12-15H,8,11,16-18H2,1-4H3,(H,27,32)