2-[(4-methoxyphenyl)sulfonylamino]-4-oxidanylidene-4-[(phenylmethyl)amino]-2-propan-2-yl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonylamino]-4-oxidanylidene-4-[(phenylmethyl)amino]-2-propan-2-yl-butanoic acid Openeye Name: 4-(benzylamino)-2-isopropyl-2-[(4-methoxyphenyl)sulfonylamino]-4-oxo-butanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-[(phenylmethyl)amino]-2-propan-2-ylbutanoic acid IUPAC Name: 4-(benzylamino)-2-[(4-methoxyphenyl)sulfonylamino]-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: 4-(benzylamino)-2-isopropyl-4-keto-2-[(4-methoxyphenyl)sulfonylamino]butyric acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)NCC1=CC=CC=C1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C(CC(=O)NCC1=CC=CC=C1)(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H26N2O6S/c1-15(2)21(20(25)26,13-19(24)22-14-16-7-5-4-6-8-16)23-30(27,28)18-11-9-17(29-3)10-12-18/h4-12,15,23H,13-14H2,1-3H3,(H,22,24)(H,25,26)