N-[4-(anthracen-9-ylamino)-3-methoxy-phenyl]propane-1-sulfonamide; methanesulfonic acid

Systemtic Name: N-[4-(anthracen-9-ylamino)-3-methoxy-phenyl]propane-1-sulfonamide; methanesulfonic acid Openeye Name: N-[4-(9-anthrylamino)-3-methoxy-phenyl]propane-1-sulfonamide; methanesulfonic acid CAS Name: N-[4-(9-anthracenylamino)-3-methoxyphenyl]-1-propanesulfonamide; methanesulfonic acid IUPAC Name: N-[4-(anthracen-9-ylamino)-3-methoxyphenyl]propane-1-sulfonamide; methanesulfonic acid Traditional Name: N-[4-(9-anthrylamino)-3-methoxy-phenyl]propane-1-sulfonamide; mesylic acid Formula: C25H28N2O6S2 MolecularWeight: 516.62962

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=CC4=CC=CC=C42)OC.CS(=O)(=O)O

Isomeric SMILES

CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=CC4=CC=CC=C42)OC.CS(=O)(=O)O

InChI

InChI=1S/C24H24N2O3S.CH4O3S/c1-3-14-30(27,28)26-19-12-13-22(23(16-19)29-2)25-24-20-10-6-4-8-17(20)15-18-9-5-7-11-21(18)24;1-5(2,3)4/h4-13,15-16,25-26H,3,14H2,1-2H3;1H3,(H,2,3,4)