1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-[2-(4-methoxyphenoxy)ethyl]piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-17(31-21-9-3-18(4-10-21)25(27)28)22(26)24-13-11-23(12-14-24)15-16-30-20-7-5-19(29-2)6-8-20/h3-10,17H,11-16H2,1-2H3