N-[(4-methylphenyl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: 4-methylsulfonyl-N-(p-tolylmethyl)-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-[(4-methylphenyl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-methylsulfonyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: 4-mesyl-N-(4-methylbenzyl)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(CCS(=O)(=O)C)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(CCS(=O)(=O)C)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S2/c1-17-8-10-19(11-9-17)16-22-21(24)20(13-14-29(2,25)26)23-30(27,28)15-12-18-6-4-3-5-7-18/h3-12,15,20,23H,13-14,16H2,1-2H3,(H,22,24)/b15-12+