2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole

Systemtic Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole CAS Name: 2-[4-(3,4-diethoxyphenyl)sulfonyl-1-piperazinyl]-1,3-benzoxazole IUPAC Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-(3,4-diethoxyphenyl)sulfonylpiperazino]-1,3-benzoxazole Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3)OCC

InChI

InChI=1S/C21H25N3O5S/c1-3-27-19-10-9-16(15-20(19)28-4-2)30(25,26)24-13-11-23(12-14-24)21-22-17-7-5-6-8-18(17)29-21/h5-10,15H,3-4,11-14H2,1-2H3