N-(1-adamantyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide

Systemtic Name: N-(1-adamantyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide Openeye Name: N-(1-adamantyl)-4-methoxy-3-piperazin-1-yl-benzenesulfonamide CAS Name: N-(1-adamantyl)-4-methoxy-3-(1-piperazinyl)benzenesulfonamide IUPAC Name: N-(1-adamantyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide Traditional Name: N-(1-adamantyl)-4-methoxy-3-piperazino-benzenesulfonamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)N5CCNCC5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)N5CCNCC5

InChI

InChI=1S/C21H31N3O3S/c1-27-20-3-2-18(11-19(20)24-6-4-22-5-7-24)28(25,26)23-21-12-15-8-16(13-21)10-17(9-15)14-21/h2-3,11,15-17,22-23H,4-10,12-14H2,1H3