4-azanyl-2-(diphenylmethyl)sulfinyl-3-(diphenylmethyl)sulfonyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(diphenylmethyl)sulfinyl-3-(diphenylmethyl)sulfonyl-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-benzhydrylsulfinyl-3-benzhydrylsulfonyl-4-oxo-butanoic acid CAS Name: 4-amino-2-(diphenylmethyl)sulfinyl-3-(diphenylmethyl)sulfonyl-4-oxobutanoic acid IUPAC Name: 4-amino-2-benzhydrylsulfinyl-3-benzhydrylsulfonyl-4-oxobutanoic acid Traditional Name: 4-amino-2-benzhydrylsulfinyl-3-benzhydrylsulfonyl-4-keto-butyric acid Formula: C30H27NO6S2 MolecularWeight: 561.66848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)C(C(C(=O)N)S(=O)(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)C(C(C(=O)N)S(=O)(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H27NO6S2/c31-29(32)28(39(36,37)27(23-17-9-3-10-18-23)24-19-11-4-12-20-24)26(30(33)34)38(35)25(21-13-5-1-6-14-21)22-15-7-2-8-16-22/h1-20,25-28H,(H2,31,32)(H,33,34)