2-[(4-ethynylphenyl)sulfonyl-oxidanyl-amino]-N-methyl-N-(phenylmethyl)pentanediamide

Systemtic Name: 2-[(4-ethynylphenyl)sulfonyl-oxidanyl-amino]-N-methyl-N-(phenylmethyl)pentanediamide Openeye Name: N-benzyl-2-[(4-ethynylphenyl)sulfonyl-hydroxy-amino]-N-methyl-pentanediamide CAS Name: 2-[(4-ethynylphenyl)sulfonyl-hydroxyamino]-N-methyl-N-(phenylmethyl)pentanediamide IUPAC Name: N-benzyl-2-[(4-ethynylphenyl)sulfonyl-hydroxyamino]-N-methylpentanediamide Traditional Name: N-benzyl-2-[(4-ethynylphenyl)sulfonyl-hydroxy-amino]-N-methyl-glutaramide Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C(CCC(=O)N)N(O)S(=O)(=O)C2=CC=C(C=C2)C#C

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C(CCC(=O)N)N(O)S(=O)(=O)C2=CC=C(C=C2)C#C

InChI

InChI=1S/C21H23N3O5S/c1-3-16-9-11-18(12-10-16)30(28,29)24(27)19(13-14-20(22)25)21(26)23(2)15-17-7-5-4-6-8-17/h1,4-12,19,27H,13-15H2,2H3,(H2,22,25)