[3-(chrysen-6-ylmethylamino)-4-oxidanyl-pentan-2-yl] methanesulfonate

Systemtic Name: [3-(chrysen-6-ylmethylamino)-4-oxidanyl-pentan-2-yl] methanesulfonate Openeye Name: [2-(chrysen-6-ylmethylamino)-3-hydroxy-1-methyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [3-(6-chrysenylmethylamino)-4-hydroxypentan-2-yl] ester IUPAC Name: [3-(chrysen-6-ylmethylamino)-4-hydroxypentan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(chrysen-6-ylmethylamino)-3-hydroxy-1-methyl-butyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C)OS(=O)(=O)C)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41)O

Isomeric SMILES

CC(C(C(C)OS(=O)(=O)C)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41)O

InChI

InChI=1S/C25H27NO4S/c1-16(27)25(17(2)30-31(3,28)29)26-15-19-14-24-20-9-5-4-8-18(20)12-13-23(24)22-11-7-6-10-21(19)22/h4-14,16-17,25-27H,15H2,1-3H3