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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H23N5O4S/c1-2-3-12-22-16(18-19-20-22)13-26-17(23)14-6-8-15(9-7-14)27(24,25)21-10-4-5-11-21/h6-9H,2-5,10-13H2,1H3