[2-[(12-ethylchrysen-6-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate

Systemtic Name: [2-[(12-ethylchrysen-6-yl)methylamino]-2-methyl-1,3-bis(oxidanyl)propyl] methanesulfonate Openeye Name: [2-[(12-ethylchrysen-6-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] methanesulfonate CAS Name: methanesulfonic acid [2-[(12-ethyl-6-chrysenyl)methylamino]-1,3-dihydroxy-2-methylpropyl] ester IUPAC Name: [2-[(12-ethylchrysen-6-yl)methylamino]-1,3-dihydroxy-2-methylpropyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(12-ethylchrysen-6-yl)methylamino]-1,3-dihydroxy-2-methyl-propyl] ester Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C(C3=CC=CC=C32)CNC(C)(CO)C(O)OS(=O)(=O)C)C4=CC=CC=C41

Isomeric SMILES

CCC1=CC2=C(C=C(C3=CC=CC=C32)CNC(C)(CO)C(O)OS(=O)(=O)C)C4=CC=CC=C41

InChI

InChI=1S/C26H29NO5S/c1-4-17-13-23-22-12-8-6-10-20(22)18(14-24(23)21-11-7-5-9-19(17)21)15-27-26(2,16-28)25(29)32-33(3,30)31/h5-14,25,27-29H,4,15-16H2,1-3H3