3-(2-tert-butylsulfanylphenoxy)-N-methyl-3-phenyl-propan-1-amine; naphthalene-2-sulfonic acid

Systemtic Name: 3-(2-tert-butylsulfanylphenoxy)-N-methyl-3-phenyl-propan-1-amine; naphthalene-2-sulfonic acid Openeye Name: 3-(2-tert-butylsulfanylphenoxy)-N-methyl-3-phenyl-propan-1-amine; naphthalene-2-sulfonic acid CAS Name: 3-[2-(tert-butylthio)phenoxy]-N-methyl-3-phenyl-1-propanamine; 2-naphthalenesulfonic acid IUPAC Name: 3-(2-tert-butylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine; naphthalene-2-sulfonic acid Traditional Name: [3-[2-(tert-butylthio)phenoxy]-3-phenyl-propyl]-methyl-amine; naphthalene-2-sulfonic acid Formula: C30H35NO4S2 MolecularWeight: 537.7332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C20H27NOS.C10H8O3S/c1-20(2,3)23-19-13-9-8-12-18(19)22-17(14-15-21-4)16-10-6-5-7-11-16;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h5-13,17,21H,14-15H2,1-4H3;1-7H,(H,11,12,13)