3-[[6-[(2-methylphenyl)sulfonylamino]-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[6-[(2-methylphenyl)sulfonylamino]-2-thiophen-2-yl-hexanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[6-(o-tolylsulfonylamino)-2-(2-thienyl)hexanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[6-[(2-methylphenyl)sulfonylamino]-1-oxo-2-thiophen-2-ylhexyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[6-[(2-methylphenyl)sulfonylamino]-2-thiophen-2-ylhexanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[6-(o-tolylsulfonylamino)-2-(2-thienyl)hexanoyl]amino]butyric acid Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NCCCCC(C2=CC=CS2)C(=O)NC(CC(=O)O)C=O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NCCCCC(C2=CC=CS2)C(=O)NC(CC(=O)O)C=O

InChI

InChI=1S/C21H26N2O6S2/c1-15-7-2-3-10-19(15)31(28,29)22-11-5-4-8-17(18-9-6-12-30-18)21(27)23-16(14-24)13-20(25)26/h2-3,6-7,9-10,12,14,16-17,22H,4-5,8,11,13H2,1H3,(H,23,27)(H,25,26)