(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H27N5O4S/c1-2-3-14-24-18(20-21-22-24)15-28-19(25)16-8-10-17(11-9-16)29(26,27)23-12-6-4-5-7-13-23/h8-11H,2-7,12-15H2,1H3