[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-keto-2-(4-piperidinosulfonylphenyl)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)C(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

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