ethyl 3-[3-azanylpropyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[3-azanylpropyl-(4-methylphenyl)sulfonyl-amino]-3-phenyl-propanoate Openeye Name: ethyl 3-[3-aminopropyl(p-tolylsulfonyl)amino]-3-phenyl-propanoate CAS Name: 3-[3-aminopropyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-aminopropyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: 3-[3-aminopropyl(tosyl)amino]-3-phenyl-propionic acid ethyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)N(CCCN)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)N(CCCN)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H28N2O4S/c1-3-27-21(24)16-20(18-8-5-4-6-9-18)23(15-7-14-22)28(25,26)19-12-10-17(2)11-13-19/h4-6,8-13,20H,3,7,14-16,22H2,1-2H3