[2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[4-methyl-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[4-methyl-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-keto-2-(4-methyl-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C29H31N3O5S2 MolecularWeight: 565.70354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C29H31N3O5S2/c1-21-13-14-22(19-27(21)39(35,36)31-16-7-2-8-17-31)30-28(33)20-37-29(34)15-18-32-23-9-3-5-11-25(23)38-26-12-6-4-10-24(26)32/h3-6,9-14,19H,2,7-8,15-18,20H2,1H3,(H,30,33)