2-[4-ethoxy-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]-1,2-thiazinane 1,1-dioxide

Systemtic Name: 2-[4-ethoxy-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-phenyl]-1,2-thiazinane 1,1-dioxide Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-ethoxy-phenyl]thiazinane 1,1-dioxide CAS Name: 2-[4-ethoxy-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]thiazinane 1,1-dioxide IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-ethoxyphenyl]thiazinane 1,1-dioxide Traditional Name: 2-[3-(4-benzylpiperazino)sulfonyl-4-ethoxy-phenyl]thiazinane 1,1-dioxide Formula: C23H31N3O5S2 MolecularWeight: 493.63934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)N2CCCCS2(=O)=O)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=C(C=C1)N2CCCCS2(=O)=O)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O5S2/c1-2-31-22-11-10-21(26-12-6-7-17-32(26,27)28)18-23(22)33(29,30)25-15-13-24(14-16-25)19-20-8-4-3-5-9-20/h3-5,8-11,18H,2,6-7,12-17,19H2,1H3