3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Openeye Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-2-thioxo-1,3-benzoxazole-5-sulfonamide CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethyl-2-sulfanylidene-1,3-benzoxazole-5-sulfonamide Traditional Name: N,N-dimethyl-3-[(4-o-phenetylpiperazino)methyl]-2-thioxo-1,3-benzoxazole-5-sulfonamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)OC3=S

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)OC3=S

InChI

InChI=1S/C22H28N4O4S2/c1-4-29-20-8-6-5-7-18(20)25-13-11-24(12-14-25)16-26-19-15-17(32(27,28)23(2)3)9-10-21(19)30-22(26)31/h5-10,15H,4,11-14,16H2,1-3H3