(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoate CAS Name: 5-(1-azepanylsulfonyl)-2-methoxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C28H28N2O6S2 MolecularWeight: 552.66172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C28H28N2O6S2/c1-35-24-15-14-20(38(33,34)29-16-8-2-3-9-17-29)18-21(24)28(32)36-19-27(31)30-22-10-4-6-12-25(22)37-26-13-7-5-11-23(26)30/h4-7,10-15,18H,2-3,8-9,16-17,19H2,1H3