N-(1-adamantylmethyl)-4-(benzotriazol-2-yl)-5-methoxy-2-methyl-benzenesulfonamide

Systemtic Name: N-(1-adamantylmethyl)-4-(benzotriazol-2-yl)-5-methoxy-2-methyl-benzenesulfonamide Openeye Name: N-(1-adamantylmethyl)-4-(benzotriazol-2-yl)-5-methoxy-2-methyl-benzenesulfonamide CAS Name: N-(1-adamantylmethyl)-4-(2-benzotriazolyl)-5-methoxy-2-methylbenzenesulfonamide IUPAC Name: N-(1-adamantylmethyl)-4-(benzotriazol-2-yl)-5-methoxy-2-methylbenzenesulfonamide Traditional Name: N-(1-adamantylmethyl)-4-(benzotriazol-2-yl)-5-methoxy-2-methyl-benzenesulfonamide Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)NCC23CC4CC(C2)CC(C4)C3)OC)N5N=C6C=CC=CC6=N5

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)NCC23CC4CC(C2)CC(C4)C3)OC)N5N=C6C=CC=CC6=N5

InChI

InChI=1S/C25H30N4O3S/c1-16-7-22(29-27-20-5-3-4-6-21(20)28-29)23(32-2)11-24(16)33(30,31)26-15-25-12-17-8-18(13-25)10-19(9-17)14-25/h3-7,11,17-19,26H,8-10,12-15H2,1-2H3