1-[3-[[2-oxidanylidene-2-[(1-oxidanylidene-1-phenylazanyl-propan-2-yl)-phenyl-amino]ethyl]carbamoylamino]phenyl]ethanesulfonic acid

Systemtic Name: 1-[3-[[2-oxidanylidene-2-[(1-oxidanylidene-1-phenylazanyl-propan-2-yl)-phenyl-amino]ethyl]carbamoylamino]phenyl]ethanesulfonic acid Openeye Name: 1-[3-[[2-(N-(2-anilino-1-methyl-2-oxo-ethyl)anilino)-2-oxo-ethyl]carbamoylamino]phenyl]ethanesulfonic acid CAS Name: 1-[3-[[[[2-(N-(1-anilino-1-oxopropan-2-yl)anilino)-2-oxoethyl]amino]-oxomethyl]amino]phenyl]ethanesulfonic acid IUPAC Name: 1-[3-[[2-(N-(1-anilino-1-oxopropan-2-yl)anilino)-2-oxoethyl]carbamoylamino]phenyl]ethanesulfonic acid Traditional Name: 1-[3-[[2-(N-(2-anilino-2-keto-1-methyl-ethyl)anilino)-2-keto-ethyl]carbamoylamino]phenyl]ethanesulfonic acid Formula: C26H28N4O6S MolecularWeight: 524.58872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)NCC(=O)N(C2=CC=CC=C2)C(C)C(=O)NC3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=O)NCC(=O)N(C2=CC=CC=C2)C(C)C(=O)NC3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C26H28N4O6S/c1-18(25(32)28-21-11-5-3-6-12-21)30(23-14-7-4-8-15-23)24(31)17-27-26(33)29-22-13-9-10-20(16-22)19(2)37(34,35)36/h3-16,18-19H,17H2,1-2H3,(H,28,32)(H2,27,29,33)(H,34,35,36)