4-[bis(phenylmethyl)amino]-3-methyl-benzenesulfonic acid

Systemtic Name: 4-[bis(phenylmethyl)amino]-3-methyl-benzenesulfonic acid Openeye Name: 4-(dibenzylamino)-3-methyl-benzenesulfonic acid CAS Name: 4-[bis(phenylmethyl)amino]-3-methylbenzenesulfonic acid IUPAC Name: 4-(dibenzylamino)-3-methylbenzenesulfonic acid Traditional Name: 4-(dibenzylamino)-3-methyl-besylic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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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

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S/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)