sodium 2-[3-[bis(phenylmethyl)amino]propylsulfonylamino]-3-phenyl-propanoate

Systemtic Name: sodium 2-[3-[bis(phenylmethyl)amino]propylsulfonylamino]-3-phenyl-propanoate Openeye Name: sodium 2-[3-(dibenzylamino)propylsulfonylamino]-3-phenyl-propanoate CAS Name: sodium 2-[3-[bis(phenylmethyl)amino]propylsulfonylamino]-3-phenylpropanoate IUPAC Name: sodium 2-[3-(dibenzylamino)propylsulfonylamino]-3-phenylpropanoate Traditional Name: sodium 2-[3-(dibenzylamino)propylsulfonylamino]-3-phenyl-propionate Formula: C26H29N2NaO4S MolecularWeight: 488.57423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4S.Na/c29-26(30)25(19-22-11-4-1-5-12-22)27-33(31,32)18-10-17-28(20-23-13-6-2-7-14-23)21-24-15-8-3-9-16-24;/h1-9,11-16,25,27H,10,17-21H2,(H,29,30);/q;+1/p-1