(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H28N2O5S2 MolecularWeight: 536.66232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H28N2O5S2/c31-27(30-23-8-2-4-10-25(23)36-26-11-5-3-9-24(26)30)20-35-28(32)17-14-21-12-15-22(16-13-21)37(33,34)29-18-6-1-7-19-29/h2-5,8-13,15-16H,1,6-7,14,17-20H2