(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic 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)N3CCC(CC3)C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)C

InChI

InChI=1S/C19H27N5O4S/c1-3-4-11-24-18(20-21-22-24)14-28-19(25)16-5-7-17(8-6-16)29(26,27)23-12-9-15(2)10-13-23/h5-8,15H,3-4,9-14H2,1-2H3