(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 1-methyl-4-morpholin-4-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-morpholinosulfonyl-pyrrole-2-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C16H24N6O5S MolecularWeight: 412.46396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H24N6O5S/c1-3-4-5-22-15(17-18-19-22)12-27-16(23)14-10-13(11-20(14)2)28(24,25)21-6-8-26-9-7-21/h10-11H,3-9,12H2,1-2H3