(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H21N5O4S/c1-2-8-21-15(17-18-19-21)12-25-16(22)13-6-5-7-14(11-13)26(23,24)20-9-3-4-10-20/h5-7,11H,2-4,8-10,12H2,1H3