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

Systemtic Name: [4-[dodecan-4-yl(phenylcarbonyl)amino]phenyl]sulfonyl 2-azanylethanoate Openeye Name: [4-[benzoyl(1-propylnonyl)amino]phenyl]sulfonyl 2-aminoacetate CAS Name: 2-aminoacetic acid [4-[benzoyl(dodecan-4-yl)amino]phenyl]sulfonyl ester IUPAC Name: [4-[benzoyl(dodecan-4-yl)amino]phenyl]sulfonyl 2-aminoacetate Traditional Name: 2-aminoacetic acid [4-[benzoyl(1-propylnonyl)amino]phenyl]sulfonyl ester Formula: C27H38N2O5S MolecularWeight: 502.66602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O5S/c1-3-5-6-7-8-12-16-23(13-4-2)29(27(31)22-14-10-9-11-15-22)24-17-19-25(20-18-24)35(32,33)34-26(30)21-28/h9-11,14-15,17-20,23H,3-8,12-13,16,21,28H2,1-2H3