sodium 2-[bis(phenylmethyl)amino]-1-oxidanyl-3-phenyl-propane-1-sulfonate

Systemtic Name: sodium 2-[bis(phenylmethyl)amino]-1-oxidanyl-3-phenyl-propane-1-sulfonate Openeye Name: sodium 2-(dibenzylamino)-1-hydroxy-3-phenyl-propane-1-sulfonate CAS Name: sodium 2-[bis(phenylmethyl)amino]-1-hydroxy-3-phenyl-1-propanesulfonate IUPAC Name: sodium 2-(dibenzylamino)-1-hydroxy-3-phenylpropane-1-sulfonate Traditional Name: sodium 2-(dibenzylamino)-1-hydroxy-3-phenyl-propane-1-sulfonate Formula: C23H24NNaO4S MolecularWeight: 433.49573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(O)S(=O)(=O)[O-])N(CC2=CC=CC=C2)CC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(O)S(=O)(=O)[O-])N(CC2=CC=CC=C2)CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C23H25NO4S.Na/c25-23(29(26,27)28)22(16-19-10-4-1-5-11-19)24(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;/h1-15,22-23,25H,16-18H2,(H,26,27,28);/q;+1/p-1