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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H25N5O4S/c1-2-11-23-17(19-20-21-23)14-27-18(24)15-7-9-16(10-8-15)28(25,26)22-12-5-3-4-6-13-22/h7-10H,2-6,11-14H2,1H3