5-[(3S,4S)-4-methyl-3-phenylmethoxy-hexyl]sulfonyl-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-[(3S,4S)-4-methyl-3-phenylmethoxy-hexyl]sulfonyl-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-[(3S,4S)-3-benzyloxy-4-methyl-hexyl]sulfonyl-1-phenyl-tetrazole CAS Name: 5-[(3S,4S)-4-methyl-3-phenylmethoxyhexyl]sulfonyl-1-phenyltetrazole IUPAC Name: 5-[(3S,4S)-4-methyl-3-phenylmethoxyhexyl]sulfonyl-1-phenyltetrazole Traditional Name: 5-[(3S,4S)-3-benzoxy-4-methyl-hexyl]sulfonyl-1-phenyl-tetrazole Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@H](CCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3S/c1-3-17(2)20(28-16-18-10-6-4-7-11-18)14-15-29(26,27)21-22-23-24-25(21)19-12-8-5-9-13-19/h4-13,17,20H,3,14-16H2,1-2H3/t17-,20-/m0/s1