sodium 4-[bis(phenylmethyl)amino]-3-methyl-benzenesulfonate

Systemtic Name: sodium 4-[bis(phenylmethyl)amino]-3-methyl-benzenesulfonate Openeye Name: sodium 4-(dibenzylamino)-3-methyl-benzenesulfonate CAS Name: sodium 4-[bis(phenylmethyl)amino]-3-methylbenzenesulfonate IUPAC Name: sodium 4-(dibenzylamino)-3-methylbenzenesulfonate Traditional Name: sodium 4-(dibenzylamino)-3-methyl-besylate Formula: C21H20NNaO3S MolecularWeight: 389.44317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N(CC2=CC=CC=C2)CC3=CC=CC=C3.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N(CC2=CC=CC=C2)CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C21H21NO3S.Na/c1-17-14-20(26(23,24)25)12-13-21(17)22(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19;/h2-14H,15-16H2,1H3,(H,23,24,25);/q;+1/p-1