1-adamantylmethyl 4-[[2-methyl-5-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylamino]benzoate

Systemtic Name: 1-adamantylmethyl 4-[[2-methyl-5-(1,2,3,4-tetrazol-1-yl)phenyl]sulfonylamino]benzoate Openeye Name: 1-adamantylmethyl 4-[[2-methyl-5-(tetrazol-1-yl)phenyl]sulfonylamino]benzoate CAS Name: 4-[[2-methyl-5-(1-tetrazolyl)phenyl]sulfonylamino]benzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-[[2-methyl-5-(tetrazol-1-yl)phenyl]sulfonylamino]benzoate Traditional Name: 4-[[2-methyl-5-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid 1-adamantylmethyl ester Formula: C26H29N5O4S MolecularWeight: 507.60456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=N2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=N2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)OCC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29N5O4S/c1-17-2-7-23(31-16-27-29-30-31)11-24(17)36(33,34)28-22-5-3-21(4-6-22)25(32)35-15-26-12-18-8-19(13-26)10-20(9-18)14-26/h2-7,11,16,18-20,28H,8-10,12-15H2,1H3