N-cyclopropyl-3-[[2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]benzamide

Systemtic Name: N-cyclopropyl-3-[[2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]benzamide Openeye Name: N-cyclopropyl-3-[[2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-[(4-methoxyphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[(4-methoxyphenyl)sulfonylamino]-4-(methylthio)butanoyl]amino]benzamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)NC2=CC=CC(=C2)C(=O)NC3CC3

InChI

InChI=1S/C22H27N3O5S2/c1-30-18-8-10-19(11-9-18)32(28,29)25-20(12-13-31-2)22(27)24-17-5-3-4-15(14-17)21(26)23-16-6-7-16/h3-5,8-11,14,16,20,25H,6-7,12-13H2,1-2H3,(H,23,26)(H,24,27)