(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid (1-butyltetrazol-5-yl)methyl ester Formula: C17H25N5O5S MolecularWeight: 411.4759

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C17H25N5O5S/c1-3-5-12-22-16(19-20-21-22)13-27-17(23)10-11-18-28(24,25)15-8-6-14(7-9-15)26-4-2/h6-9,18H,3-5,10-13H2,1-2H3