(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic 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(=CC=C2)S(=O)(=O)N3CCCCC3C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC[C@@H]3C

InChI

InChI=1S/C18H25N5O4S/c1-3-10-22-17(19-20-21-22)13-27-18(24)15-8-6-9-16(12-15)28(25,26)23-11-5-4-7-14(23)2/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3/t14-/m0/s1