benzenesulfonic acid; ethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate

Systemtic Name: benzenesulfonic acid; ethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate Openeye Name: benzenesulfonic acid; ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridyl]carbamate CAS Name: N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamic acid ethyl ester; benzenesulfonic acid IUPAC Name: benzenesulfonic acid; ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate Traditional Name: N-[2-amino-6-[(4-fluorobenzyl)amino]-3-pyridyl]carbamic acid ethyl ester; besylic acid Formula: C21H23FN4O5S MolecularWeight: 462.494523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C15H17FN4O2.C6H6O3S/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;7-10(8,9)6-4-2-1-3-5-6/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);1-5H,(H,7,8,9)