[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C27H27N3O6S2 MolecularWeight: 553.64978

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)NC(=O)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H27N3O6S2/c31-26(28-20-6-5-7-21(18-20)38(33,34)29-14-16-35-17-15-29)19-36-27(32)12-13-30-22-8-1-3-10-24(22)37-25-11-4-2-9-23(25)30/h1-11,18H,12-17,19H2,(H,28,31)