N-(1-adamantylmethyl)-2,5-diethoxy-benzenesulfonamide

Systemtic Name: N-(1-adamantylmethyl)-2,5-diethoxy-benzenesulfonamide Openeye Name: N-(1-adamantylmethyl)-2,5-diethoxy-benzenesulfonamide CAS Name: N-(1-adamantylmethyl)-2,5-diethoxybenzenesulfonamide IUPAC Name: N-(1-adamantylmethyl)-2,5-diethoxybenzenesulfonamide Traditional Name: N-(1-adamantylmethyl)-2,5-diethoxy-benzenesulfonamide Formula: C21H31NO4S MolecularWeight: 393.54014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC1=CC(=C(C=C1)OCC)S(=O)(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H31NO4S/c1-3-25-18-5-6-19(26-4-2)20(10-18)27(23,24)22-14-21-11-15-7-16(12-21)9-17(8-15)13-21/h5-6,10,15-17,22H,3-4,7-9,11-14H2,1-2H3