[1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 5-(dimethylamino)naphthalene-1-sulfonate

Systemtic Name: [1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 5-(dimethylamino)naphthalene-1-sulfonate Openeye Name: [1-[(isopropylamino)methyl]-2-(1-naphthyloxy)ethyl] 5-(dimethylamino)naphthalene-1-sulfonate CAS Name: 5-(dimethylamino)-1-naphthalenesulfonic acid [1-(1-naphthalenyloxy)-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl] 5-(dimethylamino)naphthalene-1-sulfonate Traditional Name: 5-(dimethylamino)naphthalene-1-sulfonic acid [1-[(isopropylamino)methyl]-2-(1-naphthoxy)ethyl] ester Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC2=CC=CC=C21)OS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=CC=CC=C21)OS(=O)(=O)C3=CC=CC4=C3C=CC=C4N(C)C

InChI

InChI=1S/C28H32N2O4S/c1-20(2)29-18-22(19-33-27-16-7-11-21-10-5-6-12-23(21)27)34-35(31,32)28-17-9-13-24-25(28)14-8-15-26(24)30(3)4/h5-17,20,22,29H,18-19H2,1-4H3