(2S)-N-(1-adamantylmethyl)-N-methyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: (2S)-N-(1-adamantylmethyl)-N-methyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: (2S)-N-(1-adamantylmethyl)-N-methyl-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: (2S)-N-(1-adamantylmethyl)-N-methyl-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: (2S)-N-(1-adamantylmethyl)-N-methyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: (2S)-N-(1-adamantylmethyl)-N-methyl-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C25H36N2O3S2 MolecularWeight: 476.69494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)C(CCSC)NS(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CN(CC12CC3CC(C1)CC(C3)C2)C(=O)[C@H](CCSC)NS(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H36N2O3S2/c1-27(18-25-15-20-12-21(16-25)14-22(13-20)17-25)24(28)23(8-10-31-2)26-32(29,30)11-9-19-6-4-3-5-7-19/h3-7,9,11,20-23,26H,8,10,12-18H2,1-2H3/b11-9+/t20?,21?,22?,23-,25?/m0/s1