(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N5O4S/c1-2-3-12-27-21(23-24-25-27)16-31-22(28)18-9-6-10-20(14-18)32(29,30)26-13-11-17-7-4-5-8-19(17)15-26/h4-10,14H,2-3,11-13,15-16H2,1H3