3,3-dimethyl-2-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)pent-4-enoic acid

Systemtic Name: 3,3-dimethyl-2-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)pent-4-enoic acid Openeye Name: 2-benzyl-3,3-dimethyl-2-(p-tolylsulfonylamino)pent-4-enoic acid CAS Name: 3,3-dimethyl-2-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)-4-pentenoic acid IUPAC Name: 2-benzyl-3,3-dimethyl-2-[(4-methylphenyl)sulfonylamino]pent-4-enoic acid Traditional Name: 2-benzyl-3,3-dimethyl-2-(tosylamino)pent-4-enoic acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)(C(=O)O)C(C)(C)C=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)(C(=O)O)C(C)(C)C=C

InChI

InChI=1S/C21H25NO4S/c1-5-20(3,4)21(19(23)24,15-17-9-7-6-8-10-17)22-27(25,26)18-13-11-16(2)12-14-18/h5-14,22H,1,15H2,2-4H3,(H,23,24)