(2S)-2-butyl-4-(4-methylphenyl)sulfonyl-5-phenylazanyl-thiophen-3-one

Systemtic Name: (2S)-2-butyl-4-(4-methylphenyl)sulfonyl-5-phenylazanyl-thiophen-3-one Openeye Name: (2S)-5-anilino-2-butyl-4-(p-tolylsulfonyl)thiophen-3-one CAS Name: (2S)-5-anilino-2-butyl-4-(4-methylphenyl)sulfonyl-3-thiophenone IUPAC Name: (2S)-5-anilino-2-butyl-4-(4-methylphenyl)sulfonylthiophen-3-one Traditional Name: (2S)-5-anilino-2-butyl-4-tosyl-thiophen-3-one Formula: C21H23NO3S2 MolecularWeight: 401.54222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)C(=C(S1)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC[C@H]1C(=O)C(=C(S1)NC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H23NO3S2/c1-3-4-10-18-19(23)20(21(26-18)22-16-8-6-5-7-9-16)27(24,25)17-13-11-15(2)12-14-17/h5-9,11-14,18,22H,3-4,10H2,1-2H3/t18-/m0/s1