4-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid

Systemtic Name: 4-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[(4-aminophenyl)methylcarbamoylamino]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[[[(4-aminophenyl)methylamino]-oxomethyl]amino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[(4-aminophenyl)methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[(4-aminobenzyl)carbamoylamino]-2-methyl-benzenesulfonyl fluoride; esylic acid Formula: C17H22FN3O6S2 MolecularWeight: 447.501483

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCC2=CC=C(C=C2)N)S(=O)(=O)F

Isomeric SMILES

CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCC2=CC=C(C=C2)N)S(=O)(=O)F

InChI

InChI=1S/C15H16FN3O3S.C2H6O3S/c1-10-8-13(6-7-14(10)23(16,21)22)19-15(20)18-9-11-2-4-12(17)5-3-11;1-2-6(3,4)5/h2-8H,9,17H2,1H3,(H2,18,19,20);2H2,1H3,(H,3,4,5)