(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(azepan-1-ylsulfonyl)-4-methoxy-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-methoxybenzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-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)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)N5CCCCCC5

InChI

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