[4-[hexan-3-yl(phenylcarbonyl)amino]phenyl]sulfonyl 2-azanylethanoate

Systemtic Name: [4-[hexan-3-yl(phenylcarbonyl)amino]phenyl]sulfonyl 2-azanylethanoate Openeye Name: [4-[benzoyl(1-ethylbutyl)amino]phenyl]sulfonyl 2-aminoacetate CAS Name: 2-aminoacetic acid [4-[benzoyl(hexan-3-yl)amino]phenyl]sulfonyl ester IUPAC Name: [4-[benzoyl(hexan-3-yl)amino]phenyl]sulfonyl 2-aminoacetate Traditional Name: 2-aminoacetic acid [4-[benzoyl(1-ethylbutyl)amino]phenyl]sulfonyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)N(C1=CC=C(C=C1)S(=O)(=O)OC(=O)CN)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC(CC)N(C1=CC=C(C=C1)S(=O)(=O)OC(=O)CN)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-3-8-17(4-2)23(21(25)16-9-6-5-7-10-16)18-11-13-19(14-12-18)29(26,27)28-20(24)15-22/h5-7,9-14,17H,3-4,8,15,22H2,1-2H3