4-(hydroxymethyl)-7-methoxy-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol

Systemtic Name: 4-(hydroxymethyl)-7-methoxy-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol Openeye Name: 4-(hydroxymethyl)-7-methoxy-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol CAS Name: 4-(hydroxymethyl)-7-methoxy-4-[2-(4-phenyl-1-piperazinyl)ethyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol IUPAC Name: 4-(hydroxymethyl)-7-methoxy-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol Traditional Name: 7-methoxy-4-methylol-4-[2-(4-phenylpiperazino)ethyl]-2,3-dihydro-1,5-benzoxathiepin-3-ol Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OCC(C(S2)(CCN3CCN(CC3)C4=CC=CC=C4)CO)O

Isomeric SMILES

COC1=CC2=C(C=C1)OCC(C(S2)(CCN3CCN(CC3)C4=CC=CC=C4)CO)O

InChI

InChI=1S/C23H30N2O4S/c1-28-19-7-8-20-21(15-19)30-23(17-26,22(27)16-29-20)9-10-24-11-13-25(14-12-24)18-5-3-2-4-6-18/h2-8,15,22,26-27H,9-14,16-17H2,1H3