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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H26N2O5S2 MolecularWeight: 522.63574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H26N2O5S2/c30-26(29-22-12-3-5-14-24(22)35-25-15-6-4-13-23(25)29)19-34-27(31)20-10-9-11-21(18-20)36(32,33)28-16-7-1-2-8-17-28/h3-6,9-15,18H,1-2,7-8,16-17,19H2